关于采用Charmm-gui 构建多糖分子结构出错问题

GHL · 发表于 Post on 2024-4-19 21:36:40

最近想构建多糖分子结构，请人做Gromacs动力学模拟（用chemdraw 2D结构转化为3D进行能力最小化），但是说是运行过程中总是报错，不能识别多糖的某个基团。
想请人构建多糖结构（糖分子有些大，大约40-50个糖基团），但是费用都高的离谱，查询了下说是可以采用glycam网站构建模型，但是网站好像总是有问题，甚至连注册都无法完成。
最近，看到有人说可以采用charmm-gui可以构建多糖模型，起初不知道为什么，后期发现是这个网站里面没有所用的阿拉伯糖苷结构，想问问大家有什么好的方法可以构建模型，不胜感激。

slxc920113 · 发表于 Post on 2024-4-19 22:01:14

在AuToFF的聚合物模块，选择2d建模，你可以自己绘制各种2d的糖元，圈选单体，设置聚合度。后续可以无缝衔接GAFF或者CGenFF力场生成Gromacs的拓扑文件。

GHL · 发表于 Post on 2024-4-19 22:16:11

slxc920113 发表于 2024-4-19 22:01
在AuToFF的聚合物模块，选择2d建模，你可以自己绘制各种2d的糖元，圈选单体，设置聚合度。后续可以无缝衔接 ...

完全看不懂怎样操作，能线下细聊吗？

GHL · 发表于 Post on 2024-4-19 22:18:10

Gromacs不识别chemdraw 3D构建的结构，这个主要是什么原因，之前构建过10个糖基团，好像是没问题，是否是因为自身的糖分子太大。那么请问采用MOE软件构建是否可以？

GHL · 发表于 Post on 2024-4-19 22:21:32

GHL 发表于 2024-4-19 22:16
完全看不懂怎样操作，能线下细聊吗？

刚刚搜索了下，得细看，多谢大佬提点

GHL · 发表于 Post on 2024-4-20 11:47:52

slxc920113 发表于 2024-4-19 22:01
在AuToFF的聚合物模块，选择2d建模，你可以自己绘制各种2d的糖元，圈选单体，设置聚合度。后续可以无缝衔接 ...

试了下，分子太大，平台没反应，一直提示重试

GHL · 发表于 Post on 2024-4-20 11:48:43

请求超时，请重试

slxc920113 · 发表于 Post on 2024-4-20 12:16:30

GHL 发表于 2024-4-20 11:47
试了下，分子太大，平台没反应，一直提示重试

单体有80个重原子数限制，但是一个糖元的原子数不可能超过80个非氢原子吧

slxc920113 · 发表于 Post on 2024-4-20 12:46:34

GHL · 发表于 Post on 2024-4-21 11:01:13

slxc920113 发表于 2024-4-20 12:46

我那个是多种多糖，我把chemdraw结构文件导入生成的mrv文件，粘贴，重复单元都画出来了

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atomRefs2="a23 a24" order="1" mrvSetSeq="1"/><bond id="b25" atomRefs2="a23 a25" order="1" mrvSetSeq="1"/><bond id="b26" atomRefs2="a25 a26" order="1" mrvSetSeq="1"/><bond id="b27" atomRefs2="a24 a27" order="1" mrvSetSeq="1"/><bond id="b28" atomRefs2="a27 a28" order="1" mrvSetSeq="1"/><bond id="b29" atomRefs2="a26 a28" order="1" mrvSetSeq="1"/><bond id="b30" atomRefs2="a25 a29" order="1" mrvSetSeq="1"/><bond id="b31" atomRefs2="a29 a30" order="1" mrvSetSeq="1"/><bond id="b32" atomRefs2="a24 a31" order="1" mrvSetSeq="1"/><bond id="b33" atomRefs2="a27 a32" order="1" mrvSetSeq="1"/><bond id="b34" atomRefs2="a23 a33" order="1" mrvSetSeq="1"/><bond id="b35" atomRefs2="a34 a35" order="1" mrvSetSeq="1"/><bond id="b36" atomRefs2="a34 a36" order="1" mrvSetSeq="1"/><bond id="b37" atomRefs2="a36 a37" order="1" mrvSetSeq="1"/><bond id="b38" atomRefs2="a35 a38" order="1" mrvSetSeq="1"/><bond id="b39" atomRefs2="a38 a39" order="1" mrvSetSeq="1"/><bond id="b40" atomRefs2="a37 a39" order="1" mrvSetSeq="1"/><bond id="b41" atomRefs2="a36 a40" order="1" mrvSetSeq="1"/><bond id="b42" atomRefs2="a40 a41" order="1" mrvSetSeq="1"/><bond id="b43" atomRefs2="a35 a42" order="1" mrvSetSeq="1"/><bond id="b44" atomRefs2="a38 a43" order="1" mrvSetSeq="1"/><bond id="b45" atomRefs2="a34 a44" order="1" mrvSetSeq="1"/><bond id="b46" atomRefs2="a45 a46" order="1" mrvSetSeq="1"/><bond id="b47" atomRefs2="a45 a47" order="1" mrvSetSeq="1"/><bond id="b48" atomRefs2="a47 a48" order="1" mrvSetSeq="1"/><bond id="b49" atomRefs2="a46 a49" order="1" mrvSetSeq="1"/><bond id="b50" atomRefs2="a49 a50" order="1" mrvSetSeq="1"/><bond id="b51" atomRefs2="a48 a50" order="1" mrvSetSeq="1"/><bond id="b52" atomRefs2="a47 a51" order="1" mrvSetSeq="1"/><bond id="b53" atomRefs2="a51 a52" order="1" mrvSetSeq="1"/><bond id="b54" atomRefs2="a46 a53" order="1" mrvSetSeq="1"/><bond id="b55" atomRefs2="a49 a54" order="1" mrvSetSeq="1"/><bond id="b56" atomRefs2="a45 a55" order="1" mrvSetSeq="1"/><bond id="b57" atomRefs2="a56 a57" order="1" mrvSetSeq="1"/><bond id="b58" atomRefs2="a56 a58" order="1" mrvSetSeq="1"/><bond id="b59" atomRefs2="a58 a59" order="1" mrvSetSeq="1"/><bond id="b60" atomRefs2="a57 a60" order="1" mrvSetSeq="1"/><bond id="b61" atomRefs2="a60 a61" order="1" mrvSetSeq="1"/><bond id="b62" atomRefs2="a59 a61" order="1" mrvSetSeq="1"/><bond id="b63" atomRefs2="a58 a62" order="1" mrvSetSeq="1"/><bond id="b64" atomRefs2="a62 a63" order="1" mrvSetSeq="1"/><bond id="b65" atomRefs2="a57 a64" order="1" mrvSetSeq="1"/><bond id="b66" atomRefs2="a60 a65" order="1" mrvSetSeq="1"/><bond id="b67" atomRefs2="a56 a66" order="1" mrvSetSeq="1"/><bond id="b68" atomRefs2="a17 a33" order="1" mrvSetSeq="1"/><bond id="b69" atomRefs2="a28 a44" order="1" mrvSetSeq="1"/><bond id="b70" atomRefs2="a39 a55" order="1" mrvSetSeq="1"/><bond id="b71" atomRefs2="a50 a66" order="1" mrvSetSeq="1"/><bond id="b72" atomRefs2="a67 a68" order="1" mrvSetSeq="1"/><bond id="b73" atomRefs2="a67 a69" order="1" mrvSetSeq="1"/><bond id="b74" atomRefs2="a69 a70" order="1" mrvSetSeq="1"/><bond id="b75" atomRefs2="a71 a72" order="1" mrvSetSeq="1"/><bond id="b76" atomRefs2="a70 a72" order="1" mrvSetSeq="1"/><bond id="b77" atomRefs2="a69 a73" order="1" mrvSetSeq="1"/><bond id="b78" atomRefs2="a73 a74" order="1" mrvSetSeq="1"/><bond id="b79" atomRefs2="a68 a75" order="1" mrvSetSeq="1"/><bond id="b80" atomRefs2="a71 a76" order="1" mrvSetSeq="1"/><bond id="b81" atomRefs2="a67 a77" order="1" mrvSetSeq="1"/><bond id="b82" atomRefs2="a78 a79" order="1" mrvSetSeq="1"/><bond id="b83" atomRefs2="a78 a80" order="1" mrvSetSeq="1"/><bond id="b84" atomRefs2="a80 a81" order="1" mrvSetSeq="1"/><bond id="b85" atomRefs2="a79 a82" order="1" mrvSetSeq="1"/><bond id="b86" atomRefs2="a82 a83" order="1" mrvSetSeq="1"/><bond id="b87" atomRefs2="a81 a83" order="1" mrvSetSeq="1"/><bond id="b88" atomRefs2="a80 a84" order="1" mrvSetSeq="1"/><bond id="b89" atomRefs2="a84 a85" order="1" mrvSetSeq="1"/><bond id="b90" atomRefs2="a79 a86" order="1" mrvSetSeq="1"/><bond id="b91" atomRefs2="a82 a87" order="1" mrvSetSeq="1"/><bond id="b92" atomRefs2="a78 a88" order="1" mrvSetSeq="1"/><bond id="b93" atomRefs2="a89 a90" order="1" mrvSetSeq="1"/><bond id="b94" atomRefs2="a89 a91" order="1" mrvSetSeq="1"/><bond id="b95" atomRefs2="a91 a92" order="1" mrvSetSeq="1"/><bond id="b96" atomRefs2="a90 a93" order="1" mrvSetSeq="1"/><bond id="b97" atomRefs2="a93 a94" order="1" mrvSetSeq="1"/><bond id="b98" atomRefs2="a92 a94" order="1" mrvSetSeq="1"/><bond id="b99" atomRefs2="a91 a95" order="1" mrvSetSeq="1"/><bond id="b100" atomRefs2="a95 a96" order="1" mrvSetSeq="1"/><bond id="b101" atomRefs2="a90 a97" order="1" mrvSetSeq="1"/><bond id="b102" atomRefs2="a93 a98" order="1" mrvSetSeq="1"/><bond id="b103" atomRefs2="a89 a99" order="1" mrvSetSeq="1"/><bond id="b104" atomRefs2="a100 a101" order="1" mrvSetSeq="1"/><bond id="b105" atomRefs2="a100 a102" order="1" mrvSetSeq="1"/><bond id="b106" atomRefs2="a102 a103" order="1" mrvSetSeq="1"/><bond id="b107" atomRefs2="a101 a104" order="1" mrvSetSeq="1"/><bond id="b108" atomRefs2="a104 a105" order="1" mrvSetSeq="1"/><bond id="b109" atomRefs2="a103 a105" order="1" mrvSetSeq="1"/><bond id="b110" atomRefs2="a102 a106" order="1" mrvSetSeq="1"/><bond id="b111" atomRefs2="a106 a107" order="1" mrvSetSeq="1"/><bond id="b112" atomRefs2="a101 a108" order="1" mrvSetSeq="1"/><bond id="b113" atomRefs2="a104 a109" order="1" mrvSetSeq="1"/><bond id="b114" atomRefs2="a100 a110" order="1" mrvSetSeq="1"/><bond id="b115" atomRefs2="a111 a112" order="1" mrvSetSeq="1"/><bond id="b116" atomRefs2="a111 a113" order="1" mrvSetSeq="1"/><bond id="b117" atomRefs2="a113 a114" order="1" mrvSetSeq="1"/><bond id="b118" atomRefs2="a112 a115" order="1" mrvSetSeq="1"/><bond id="b119" atomRefs2="a115 a116" order="1" mrvSetSeq="1"/><bond id="b120" atomRefs2="a114 a116" order="1" mrvSetSeq="1"/><bond id="b121" atomRefs2="a113 a117" order="1" mrvSetSeq="1"/><bond id="b122" atomRefs2="a117 a118" order="1" mrvSetSeq="1"/><bond id="b123" atomRefs2="a112 a119" order="1" mrvSetSeq="1"/><bond id="b124" atomRefs2="a115 a120" order="1" mrvSetSeq="1"/><bond id="b125" atomRefs2="a111 a121" order="1" mrvSetSeq="1"/><bond id="b126" atomRefs2="a72 a88" order="1" mrvSetSeq="1"/><bond id="b127" atomRefs2="a83 a99" order="1" mrvSetSeq="1"/><bond id="b128" atomRefs2="a94 a110" order="1" mrvSetSeq="1"/><bond id="b129" atomRefs2="a105 a121" order="1" mrvSetSeq="1"/><bond id="b130" atomRefs2="a61 a77" order="1" mrvSetSeq="1"/><bond id="b131" atomRefs2="a122 a123" order="1" mrvSetSeq="1"/><bond id="b132" atomRefs2="a122 a124" order="1" mrvSetSeq="1"/><bond id="b133" atomRefs2="a124 a125" order="1" mrvSetSeq="1"/><bond id="b134" atomRefs2="a123 a126" order="1" mrvSetSeq="1"/><bond id="b135" atomRefs2="a126 a127" order="1" mrvSetSeq="1"/><bond id="b136" atomRefs2="a125 a127" order="1" mrvSetSeq="1"/><bond id="b137" atomRefs2="a124 a128" order="1" mrvSetSeq="1"/><bond id="b138" atomRefs2="a128 a129" order="1" mrvSetSeq="1"/><bond id="b139" atomRefs2="a123 a130" order="1" mrvSetSeq="1"/><bond id="b140" atomRefs2="a126 a131" order="1" mrvSetSeq="1"/><bond id="b141" atomRefs2="a132 a133" order="1" mrvSetSeq="1"/><bond id="b142" atomRefs2="a132 a134" order="1" mrvSetSeq="1"/><bond id="b143" atomRefs2="a134 a135" order="1" mrvSetSeq="1"/><bond id="b144" atomRefs2="a133 a136" order="1" mrvSetSeq="1"/><bond id="b145" atomRefs2="a136 a137" order="1" mrvSetSeq="1"/><bond id="b146" atomRefs2="a135 a137" order="1" mrvSetSeq="1"/><bond id="b147" atomRefs2="a134 a138" order="1" mrvSetSeq="1"/><bond id="b148" atomRefs2="a138 a139" order="1" mrvSetSeq="1"/><bond id="b149" atomRefs2="a133 a140" order="1" mrvSetSeq="1"/><bond id="b150" atomRefs2="a136 a141" order="1" mrvSetSeq="1"/><bond id="b151" atomRefs2="a132 a142" order="1" mrvSetSeq="1"/><bond id="b152" atomRefs2="a143 a144" order="1" mrvSetSeq="1"/><bond id="b153" atomRefs2="a143 a145" order="1" mrvSetSeq="1"/><bond id="b154" atomRefs2="a145 a146" order="1" mrvSetSeq="1"/><bond id="b155" atomRefs2="a144 a147" order="1" mrvSetSeq="1"/><bond id="b156" atomRefs2="a147 a148" order="1" mrvSetSeq="1"/><bond id="b157" atomRefs2="a146 a148" order="1" mrvSetSeq="1"/><bond id="b158" atomRefs2="a145 a149" order="1" mrvSetSeq="1"/><bond id="b159" atomRefs2="a149 a150" order="1" mrvSetSeq="1"/><bond id="b160" atomRefs2="a144 a151" order="1" mrvSetSeq="1"/><bond id="b161" atomRefs2="a147 a152" order="1" mrvSetSeq="1"/><bond id="b162" atomRefs2="a143 a153" order="1" mrvSetSeq="1"/><bond id="b163" atomRefs2="a154 a155" order="1" mrvSetSeq="1"/><bond id="b164" atomRefs2="a154 a156" order="1" mrvSetSeq="1"/><bond id="b165" atomRefs2="a156 a157" order="1" mrvSetSeq="1"/><bond id="b166" atomRefs2="a155 a158" order="1" mrvSetSeq="1"/><bond id="b167" atomRefs2="a158 a159" order="1" mrvSetSeq="1"/><bond id="b168" atomRefs2="a157 a159" order="1" mrvSetSeq="1"/><bond id="b169" atomRefs2="a156 a160" order="1" mrvSetSeq="1"/><bond id="b170" atomRefs2="a160 a161" order="1" mrvSetSeq="1"/><bond id="b171" atomRefs2="a155 a162" order="1" mrvSetSeq="1"/><bond id="b172" atomRefs2="a158 a163" order="1" mrvSetSeq="1"/><bond id="b173" atomRefs2="a154 a164" order="1" mrvSetSeq="1"/><bond id="b174" atomRefs2="a165 a166" order="1" mrvSetSeq="1"/><bond id="b175" atomRefs2="a165 a167" order="1" mrvSetSeq="1"/><bond id="b176" atomRefs2="a167 a168" order="1" mrvSetSeq="1"/><bond id="b177" atomRefs2="a166 a169" order="1" mrvSetSeq="1"/><bond id="b178" atomRefs2="a169 a170" order="1" mrvSetSeq="1"/><bond id="b179" atomRefs2="a168 a170" order="1" mrvSetSeq="1"/><bond id="b180" atomRefs2="a167 a171" order="1" mrvSetSeq="1"/><bond id="b181" atomRefs2="a171 a172" order="1" mrvSetSeq="1"/><bond id="b182" atomRefs2="a166 a173" order="1" mrvSetSeq="1"/><bond id="b183" atomRefs2="a169 a174" order="1" mrvSetSeq="1"/><bond id="b184" atomRefs2="a165 a175" order="1" mrvSetSeq="1"/><bond id="b185" atomRefs2="a127 a142" order="1" mrvSetSeq="1"/><bond id="b186" atomRefs2="a137 a153" order="1" mrvSetSeq="1"/><bond id="b187" atomRefs2="a148 a164" order="1" mrvSetSeq="1"/><bond id="b188" atomRefs2="a159 a175" order="1" mrvSetSeq="1"/><bond id="b189" atomRefs2="a176 a177" order="1" mrvSetSeq="1"/><bond id="b190" atomRefs2="a176 a178" order="1" mrvSetSeq="1"/><bond id="b191" atomRefs2="a178 a179" order="1" mrvSetSeq="1"/><bond id="b192" atomRefs2="a180 a181" order="1" mrvSetSeq="1"/><bond id="b193" atomRefs2="a179 a181" order="1" mrvSetSeq="1"/><bond id="b194" atomRefs2="a178 a182" order="1" mrvSetSeq="1"/><bond id="b195" atomRefs2="a182 a183" order="1" mrvSetSeq="1"/><bond id="b196" atomRefs2="a177 a184" order="1" mrvSetSeq="1"/><bond id="b197" atomRefs2="a180 a185" order="1" mrvSetSeq="1"/><bond id="b198" atomRefs2="a176 a186" order="1" mrvSetSeq="1"/><bond id="b199" atomRefs2="a187 a188" order="1" mrvSetSeq="1"/><bond id="b200" atomRefs2="a187 a189" order="1" mrvSetSeq="1"/><bond id="b201" atomRefs2="a189 a190" order="1" mrvSetSeq="1"/><bond id="b202" atomRefs2="a188 a191" order="1" mrvSetSeq="1"/><bond id="b203" atomRefs2="a191 a192" order="1" mrvSetSeq="1"/><bond id="b204" atomRefs2="a190 a192" order="1" mrvSetSeq="1"/><bond id="b205" atomRefs2="a189 a193" order="1" mrvSetSeq="1"/><bond id="b206" atomRefs2="a193 a194" order="1" mrvSetSeq="1"/><bond id="b207" atomRefs2="a188 a195" order="1" mrvSetSeq="1"/><bond id="b208" atomRefs2="a191 a196" order="1" mrvSetSeq="1"/><bond id="b209" atomRefs2="a187 a197" order="1" mrvSetSeq="1"/><bond id="b210" atomRefs2="a181 a197" order="1" mrvSetSeq="1"/><bond id="b211" atomRefs2="a192 a198" order="1" mrvSetSeq="1"/><bond id="b212" atomRefs2="a170 a186" order="1" mrvSetSeq="1"/><bond id="b213" atomRefs2="a116 a199" order="1" mrvSetSeq="1"/><bond id="b214" atomRefs2="a122 a199" order="1" mrvSetSeq="1"/><bond id="b215" atomRefs2="a68 a71" order="1" mrvSetSeq="1"/><bond id="b216" atomRefs2="a177 a180" order="1" mrvSetSeq="1"/><bond id="b217" atomRefs2="a200 a201" order="1"/><bond id="b218" atomRefs2="a200 a202" order="1"/><bond id="b219" atomRefs2="a202 a203" order="1"/><bond id="b220" atomRefs2="a203 a204" order="1"/><bond id="b221" atomRefs2="a204 a205" order="1"/><bond id="b222" atomRefs2="a201 a205" order="1"/><bond id="b223" atomRefs2="a203 a206" order="1"/><bond id="b224" atomRefs2="a202 a207" order="1"/><bond id="b225" atomRefs2="a200 a208" order="1"/><bond id="b226" atomRefs2="a205 a209" order="1"/><bond id="b227" atomRefs2="a210 a211" order="1" mrvSetSeq="2"/><bond id="b228" atomRefs2="a210 a212" order="1" mrvSetSeq="2"/><bond id="b229" atomRefs2="a212 a213" order="1" mrvSetSeq="2"/><bond id="b230" atomRefs2="a213 a214" order="1" mrvSetSeq="2"/><bond id="b231" atomRefs2="a214 a215" order="1" mrvSetSeq="2"/><bond id="b232" atomRefs2="a211 a215" order="1" mrvSetSeq="2"/><bond id="b233" atomRefs2="a210 a216" order="1" mrvSetSeq="2"/><bond id="b234" atomRefs2="a212 a217" order="1" mrvSetSeq="2"/><bond id="b235" atomRefs2="a213 a218" order="1" mrvSetSeq="2"/><bond id="b236" atomRefs2="a214 a219" order="1" mrvSetSeq="2"/><bond id="b237" atomRefs2="a215 a220" order="1" mrvSetSeq="2"/><bond id="b238" atomRefs2="a225 a221" order="1" mrvSetSeq="2"/><bond id="b239" atomRefs2="a226 a222" order="1" mrvSetSeq="2"/><bond id="b240" atomRefs2="a227 a223" order="1" mrvSetSeq="2"/><bond id="b241" atomRefs2="a230 a224" order="1" mrvSetSeq="2"/><bond id="b242" atomRefs2="a229 a225" order="1" mrvSetSeq="2"/><bond id="b243" atomRefs2="a226 a225" order="1" mrvSetSeq="2"/><bond id="b244" atomRefs2="a227 a226" order="1" mrvSetSeq="2"/><bond id="b245" atomRefs2="a228 a227" order="1" mrvSetSeq="2"/><bond id="b246" atomRefs2="a230 a228" order="1" mrvSetSeq="2"/><bond id="b247" atomRefs2="a230 a229" order="1" mrvSetSeq="2"/><bond id="b248" atomRefs2="a220 a228" order="1" mrvSetSeq="2"/><bond id="b249" atomRefs2="a231 a232" order="1" mrvSetSeq="2"/><bond id="b250" atomRefs2="a231 a233" order="1" mrvSetSeq="2"/><bond id="b251" atomRefs2="a233 a234" order="1" mrvSetSeq="2"/><bond id="b252" atomRefs2="a234 a235" order="1" mrvSetSeq="2"/><bond id="b253" atomRefs2="a235 a236" order="1" mrvSetSeq="2"/><bond id="b254" atomRefs2="a232 a236" order="1" mrvSetSeq="2"/><bond id="b255" atomRefs2="a231 a237" order="1" mrvSetSeq="2"/><bond id="b256" atomRefs2="a234 a238" order="1" mrvSetSeq="2"/><bond id="b257" atomRefs2="a235 a239" order="1" mrvSetSeq="2"/><bond id="b258" atomRefs2="a236 a240" order="1" mrvSetSeq="2"/><bond id="b259" atomRefs2="a245 a241" order="1" mrvSetSeq="2"/><bond id="b260" atomRefs2="a246 a242" order="1" mrvSetSeq="2"/><bond id="b261" atomRefs2="a247 a243" order="1" mrvSetSeq="2"/><bond id="b262" atomRefs2="a250 a244" order="1" mrvSetSeq="2"/><bond id="b263" atomRefs2="a249 a245" order="1" mrvSetSeq="2"/><bond id="b264" atomRefs2="a246 a245" order="1" mrvSetSeq="2"/><bond id="b265" atomRefs2="a247 a246" order="1" mrvSetSeq="2"/><bond id="b266" atomRefs2="a248 a247" order="1" mrvSetSeq="2"/><bond id="b267" atomRefs2="a250 a248" order="1" mrvSetSeq="2"/><bond id="b268" atomRefs2="a250 a249" order="1" mrvSetSeq="2"/><bond id="b269" atomRefs2="a240 a248" order="1" mrvSetSeq="2"/><bond id="b270" atomRefs2="a251 a252" order="1" mrvSetSeq="2"/><bond id="b271" atomRefs2="a251 a253" order="1" mrvSetSeq="2"/><bond id="b272" atomRefs2="a253 a254" order="1" mrvSetSeq="2"/><bond id="b273" atomRefs2="a254 a255" order="1" mrvSetSeq="2"/><bond id="b274" atomRefs2="a255 a256" order="1" mrvSetSeq="2"/><bond id="b275" atomRefs2="a252 a256" order="1" mrvSetSeq="2"/><bond id="b276" atomRefs2="a251 a257" order="1" mrvSetSeq="2"/><bond id="b277" atomRefs2="a254 a258" order="1" mrvSetSeq="2"/><bond id="b278" atomRefs2="a255 a259" order="1" mrvSetSeq="2"/><bond id="b279" atomRefs2="a256 a260" order="1" mrvSetSeq="2"/><bond id="b280" atomRefs2="a253 a241" order="1" mrvSetSeq="2"/><bond id="b281" atomRefs2="a233 a221" order="1" mrvSetSeq="2"/><bond id="b282" atomRefs2="a260 a204" order="1"/><bond id="b283" atomRefs2="a265 a261" order="1"/><bond id="b284" atomRefs2="a266 a262" order="1" mrvSetSeq="2"/><bond id="b285" atomRefs2="a267 a263" order="1" mrvSetSeq="2"/><bond id="b286" atomRefs2="a270 a264" order="1" mrvSetSeq="2"/><bond id="b287" atomRefs2="a269 a265" order="1" mrvSetSeq="2"/><bond id="b288" atomRefs2="a266 a265" order="1" mrvSetSeq="2"/><bond id="b289" atomRefs2="a267 a266" order="1" mrvSetSeq="2"/><bond id="b290" atomRefs2="a268 a267" order="1" mrvSetSeq="2"/><bond id="b291" atomRefs2="a270 a268" order="1" mrvSetSeq="2"/><bond id="b292" atomRefs2="a270 a269" order="1" mrvSetSeq="2"/><bond id="b293" atomRefs2="a268 a209" order="1"/><bond id="b294" atomRefs2="a271 a272" order="1"/><bond id="b295" atomRefs2="a271 a273" order="1"/><bond id="b296" atomRefs2="a273 a274" order="1"/><bond id="b297" atomRefs2="a274 a275" order="1"/><bond id="b298" atomRefs2="a275 a276" order="1"/><bond id="b299" atomRefs2="a272 a276" order="1"/><bond id="b300" atomRefs2="a274 a277" order="1"/><bond id="b301" atomRefs2="a273 a278" order="1"/><bond id="b302" atomRefs2="a271 a279" order="1"/><bond id="b303" atomRefs2="a276 a280" order="1"/><bond id="b304" atomRefs2="a285 a281" order="1"/><bond id="b305" atomRefs2="a286 a282" order="1" mrvSetSeq="2"/><bond id="b306" atomRefs2="a287 a283" order="1" mrvSetSeq="2"/><bond id="b307" atomRefs2="a290 a284" order="1" mrvSetSeq="2"/><bond id="b308" atomRefs2="a289 a285" order="1" mrvSetSeq="2"/><bond id="b309" atomRefs2="a286 a285" order="1" mrvSetSeq="2"/><bond id="b310" atomRefs2="a287 a286" order="1" mrvSetSeq="2"/><bond id="b311" atomRefs2="a288 a287" order="1" mrvSetSeq="2"/><bond id="b312" atomRefs2="a290 a288" order="1" mrvSetSeq="2"/><bond id="b313" atomRefs2="a290 a289" order="1" mrvSetSeq="2"/><bond id="b314" atomRefs2="a288 a280" order="1"/><bond id="b315" atomRefs2="a275 a261" order="1"/><bond id="b316" atomRefs2="a291 a292" order="1"/><bond id="b317" atomRefs2="a291 a293" order="1"/><bond id="b318" atomRefs2="a293 a294" order="1"/><bond id="b319" atomRefs2="a294 a295" order="1"/><bond id="b320" atomRefs2="a295 a296" order="1"/><bond id="b321" atomRefs2="a292 a296" order="1"/><bond id="b322" atomRefs2="a294 a297" order="1"/><bond id="b323" atomRefs2="a291 a298" order="1"/><bond id="b324" atomRefs2="a296 a299" order="1"/><bond id="b325" atomRefs2="a304 a300" order="1" mrvSetSeq="2"/><bond id="b326" atomRefs2="a305 a301" order="1" mrvSetSeq="2"/><bond id="b327" atomRefs2="a306 a302" order="1" mrvSetSeq="2"/><bond id="b328" atomRefs2="a309 a303" order="1" mrvSetSeq="2"/><bond id="b329" atomRefs2="a308 a304" order="1" mrvSetSeq="2"/><bond id="b330" atomRefs2="a305 a304" order="1" mrvSetSeq="2"/><bond id="b331" atomRefs2="a306 a305" order="1" mrvSetSeq="2"/><bond id="b332" atomRefs2="a307 a306" order="1" mrvSetSeq="2"/><bond id="b333" atomRefs2="a309 a307" order="1" mrvSetSeq="2"/><bond id="b334" atomRefs2="a309 a308" order="1" mrvSetSeq="2"/><bond id="b335" atomRefs2="a307 a299" order="1"/><bond id="b336" atomRefs2="a295 a281" order="1"/><bond id="b337" atomRefs2="a310 a311" order="1" mrvSetSeq="1"/><bond id="b338" atomRefs2="a310 a312" order="1" mrvSetSeq="1"/><bond id="b339" atomRefs2="a312 a313" order="1" mrvSetSeq="1"/><bond id="b340" atomRefs2="a311 a314" order="1" mrvSetSeq="1"/><bond id="b341" atomRefs2="a314 a315" order="1" mrvSetSeq="1"/><bond id="b342" atomRefs2="a313 a315" order="1" mrvSetSeq="1"/><bond id="b343" atomRefs2="a312 a316" order="1" mrvSetSeq="1"/><bond id="b344" atomRefs2="a316 a317" order="1" mrvSetSeq="1"/><bond id="b345" atomRefs2="a311 a318" order="1" mrvSetSeq="1"/><bond id="b346" atomRefs2="a310 a319" order="1" mrvSetSeq="1"/><bond id="b347" atomRefs2="a314 a320" order="1" mrvSetSeq="1"/><bond id="b348" atomRefs2="a315 a321" order="1" mrvSetSeq="1"/><bond id="b349" atomRefs2="a327 a322" order="1" mrvSetSeq="1"/><bond id="b350" atomRefs2="a328 a323" order="1" mrvSetSeq="1"/><bond id="b351" atomRefs2="a332 a324" order="1" mrvSetSeq="1"/><bond id="b352" atomRefs2="a331 a325" order="1" mrvSetSeq="1"/><bond id="b353" atomRefs2="a330 a326" order="1" mrvSetSeq="1"/><bond id="b354" atomRefs2="a329 a327" order="1" mrvSetSeq="1"/><bond id="b355" atomRefs2="a328 a327" order="1" mrvSetSeq="1"/><bond id="b356" atomRefs2="a331 a328" order="1" mrvSetSeq="1"/><bond id="b357" atomRefs2="a330 a329" order="1" mrvSetSeq="1"/><bond id="b358" atomRefs2="a332 a330" order="1" mrvSetSeq="1"/><bond id="b359" atomRefs2="a332 a331" order="1" mrvSetSeq="1"/><bond id="b360" atomRefs2="a326 a333" order="1" mrvSetSeq="1"/><bond id="b361" atomRefs2="a333 a321" order="1" mrvSetSeq="1"/><bond id="b362" atomRefs2="a339 a334" order="1" mrvSetSeq="1"/><bond id="b363" atomRefs2="a340 a335" order="1" mrvSetSeq="1"/><bond id="b364" atomRefs2="a344 a336" order="1" mrvSetSeq="1"/><bond id="b365" atomRefs2="a343 a337" order="1" mrvSetSeq="1"/><bond id="b366" atomRefs2="a342 a338" order="1" mrvSetSeq="1"/><bond id="b367" atomRefs2="a341 a339" order="1" mrvSetSeq="1"/><bond id="b368" atomRefs2="a340 a339" order="1" mrvSetSeq="1"/><bond id="b369" atomRefs2="a343 a340" order="1" mrvSetSeq="1"/><bond id="b370" atomRefs2="a342 a341" order="1" mrvSetSeq="1"/><bond id="b371" atomRefs2="a344 a342" order="1" mrvSetSeq="1"/><bond id="b372" atomRefs2="a344 a343" order="1" mrvSetSeq="1"/><bond id="b373" atomRefs2="a351 a345" order="1" mrvSetSeq="1"/><bond id="b374" atomRefs2="a352 a346" order="1" mrvSetSeq="1"/><bond id="b375" atomRefs2="a356 a347" order="1" mrvSetSeq="1"/><bond id="b376" atomRefs2="a355 a348" order="1" mrvSetSeq="1"/><bond id="b377" atomRefs2="a350 a349" order="1" mrvSetSeq="1"/><bond id="b378" atomRefs2="a354 a350" order="1" mrvSetSeq="1"/><bond id="b379" atomRefs2="a353 a351" order="1" mrvSetSeq="1"/><bond id="b380" atomRefs2="a352 a351" order="1" mrvSetSeq="1"/><bond id="b381" atomRefs2="a355 a352" order="1" mrvSetSeq="1"/><bond id="b382" atomRefs2="a354 a353" order="1" mrvSetSeq="1"/><bond id="b383" atomRefs2="a356 a354" order="1" mrvSetSeq="1"/><bond id="b384" atomRefs2="a356 a355" order="1" mrvSetSeq="1"/><bond id="b385" atomRefs2="a357 a358" order="1" mrvSetSeq="1"/><bond id="b386" atomRefs2="a357 a359" order="1" mrvSetSeq="1"/><bond id="b387" atomRefs2="a359 a360" order="1" mrvSetSeq="1"/><bond id="b388" atomRefs2="a358 a361" order="1" mrvSetSeq="1"/><bond id="b389" atomRefs2="a361 a362" order="1" mrvSetSeq="1"/><bond id="b390" atomRefs2="a360 a362" order="1" mrvSetSeq="1"/><bond id="b391" atomRefs2="a359 a363" order="1" mrvSetSeq="1"/><bond id="b392" atomRefs2="a358 a364" order="1" mrvSetSeq="1"/><bond id="b393" atomRefs2="a357 a365" order="1" mrvSetSeq="1"/><bond id="b394" atomRefs2="a361 a366" order="1" mrvSetSeq="1"/><bond id="b395" atomRefs2="a362 a367" order="1" mrvSetSeq="1"/><bond id="b396" atomRefs2="a338 a322" order="1" mrvSetSeq="1"/><bond id="b397" atomRefs2="a363 a334" order="1" mrvSetSeq="1"/><bond id="b398" atomRefs2="a373 a368" order="1" mrvSetSeq="1"/><bond id="b399" atomRefs2="a377 a369" order="1" mrvSetSeq="1"/><bond id="b400" atomRefs2="a376 a370" order="1" mrvSetSeq="1"/><bond id="b401" atomRefs2="a375 a371" order="1" mrvSetSeq="1"/><bond id="b402" atomRefs2="a374 a372" order="1" mrvSetSeq="1"/><bond id="b403" atomRefs2="a373 a372" order="1" mrvSetSeq="1"/><bond id="b404" atomRefs2="a376 a373" order="1" mrvSetSeq="1"/><bond id="b405" atomRefs2="a375 a374" order="1" mrvSetSeq="1"/><bond id="b406" atomRefs2="a377 a375" order="1" mrvSetSeq="1"/><bond id="b407" atomRefs2="a377 a376" order="1" mrvSetSeq="1"/><bond id="b408" atomRefs2="a371 a367" order="1" mrvSetSeq="1"/><bond id="b409" atomRefs2="a372 a349" order="1" mrvSetSeq="1"/><bond id="b410" atomRefs2="a383 a378" order="1" mrvSetSeq="1"/><bond id="b411" atomRefs2="a384 a379" order="1" mrvSetSeq="1"/><bond id="b412" atomRefs2="a388 a380" order="1" mrvSetSeq="1"/><bond id="b413" atomRefs2="a387 a381" order="1" mrvSetSeq="1"/><bond id="b414" atomRefs2="a386 a382" order="1" mrvSetSeq="1"/><bond id="b415" atomRefs2="a385 a383" order="1" mrvSetSeq="1"/><bond id="b416" atomRefs2="a384 a383" order="1" mrvSetSeq="1"/><bond id="b417" atomRefs2="a387 a384" order="1" mrvSetSeq="1"/><bond id="b418" atomRefs2="a386 a385" order="1" mrvSetSeq="1"/><bond id="b419" atomRefs2="a388 a386" order="1" mrvSetSeq="1"/><bond id="b420" atomRefs2="a388 a387" order="1" mrvSetSeq="1"/><bond id="b421" atomRefs2="a382 a345" order="1" mrvSetSeq="1"/><bond id="b422" atomRefs2="a394 a389" order="1" mrvSetSeq="1"/><bond id="b423" atomRefs2="a398 a390" order="1" mrvSetSeq="1"/><bond id="b424" atomRefs2="a397 a391" order="1" mrvSetSeq="1"/><bond id="b425" atomRefs2="a396 a392" order="1" mrvSetSeq="1"/><bond id="b426" atomRefs2="a395 a393" order="1" mrvSetSeq="1"/><bond id="b427" atomRefs2="a394 a393" order="1" mrvSetSeq="1"/><bond id="b428" atomRefs2="a397 a394" order="1" mrvSetSeq="1"/><bond id="b429" atomRefs2="a396 a395" order="1" mrvSetSeq="1"/><bond id="b430" atomRefs2="a398 a396" order="1" mrvSetSeq="1"/><bond id="b431" atomRefs2="a398 a397" order="1" mrvSetSeq="1"/><bond id="b432" atomRefs2="a399 a400" order="1" mrvSetSeq="1"/><bond id="b433" atomRefs2="a399 a401" order="1" mrvSetSeq="1"/><bond id="b434" atomRefs2="a401 a402" order="1" mrvSetSeq="1"/><bond id="b435" atomRefs2="a400 a403" order="1" mrvSetSeq="1"/><bond id="b436" atomRefs2="a403 a404" order="1" mrvSetSeq="1"/><bond id="b437" atomRefs2="a402 a404" order="1" mrvSetSeq="1"/><bond id="b438" atomRefs2="a401 a405" order="1" mrvSetSeq="1"/><bond id="b439" atomRefs2="a405 a406" order="1" mrvSetSeq="1"/><bond id="b440" atomRefs2="a400 a407" order="1" mrvSetSeq="1"/><bond id="b441" atomRefs2="a399 a408" order="1" mrvSetSeq="1"/><bond id="b442" atomRefs2="a403 a409" order="1" mrvSetSeq="1"/><bond id="b443" atomRefs2="a404 a410" order="1" mrvSetSeq="1"/><bond id="b444" atomRefs2="a416 a411" order="1"/><bond id="b445" atomRefs2="a417 a412" order="1" mrvSetSeq="1"/><bond id="b446" atomRefs2="a421 a413" order="1" mrvSetSeq="1"/><bond id="b447" atomRefs2="a420 a414" order="1" mrvSetSeq="1"/><bond id="b448" atomRefs2="a419 a415" order="1" mrvSetSeq="1"/><bond id="b449" atomRefs2="a418 a416" order="1" mrvSetSeq="1"/><bond id="b450" atomRefs2="a417 a416" order="1" mrvSetSeq="1"/><bond id="b451" atomRefs2="a420 a417" order="1" mrvSetSeq="1"/><bond id="b452" atomRefs2="a419 a418" order="1" mrvSetSeq="1"/><bond id="b453" atomRefs2="a421 a419" order="1" mrvSetSeq="1"/><bond id="b454" atomRefs2="a421 a420" order="1" mrvSetSeq="1"/><bond id="b455" atomRefs2="a427 a422" order="1" mrvSetSeq="1"><bondStereo>W</bondStereo></bond><bond id="b456" atomRefs2="a431 a423" order="1" mrvSetSeq="1"><bondStereo>H</bondStereo></bond><bond id="b457" atomRefs2="a430 a424" order="1"><bondStereo>H</bondStereo></bond><bond id="b458" atomRefs2="a429 a425" order="1" mrvSetSeq="1"><bondStereo>H</bondStereo></bond><bond id="b459" atomRefs2="a428 a426" order="1" mrvSetSeq="1"/><bond id="b460" atomRefs2="a427 a426" order="1" mrvSetSeq="1"/><bond id="b461" atomRefs2="a430 a427" order="1" mrvSetSeq="1"/><bond id="b462" atomRefs2="a429 a428" order="1" mrvSetSeq="1"/><bond id="b463" atomRefs2="a431 a429" order="1" mrvSetSeq="1"/><bond id="b464" atomRefs2="a431 a430" order="1" mrvSetSeq="1"/><bond id="b465" atomRefs2="a437 a432" order="1" mrvSetSeq="1"/><bond id="b466" atomRefs2="a438 a433" order="1" mrvSetSeq="1"/><bond id="b467" atomRefs2="a442 a434" order="1" mrvSetSeq="1"/><bond id="b468" atomRefs2="a441 a435" order="1" mrvSetSeq="1"/><bond id="b469" atomRefs2="a440 a436" order="1" mrvSetSeq="1"/><bond id="b470" atomRefs2="a439 a437" order="1" mrvSetSeq="1"/><bond id="b471" atomRefs2="a438 a437" order="1" mrvSetSeq="1"/><bond id="b472" atomRefs2="a441 a438" order="1" mrvSetSeq="1"/><bond id="b473" atomRefs2="a440 a439" order="1" mrvSetSeq="1"/><bond id="b474" atomRefs2="a442 a440" order="1" mrvSetSeq="1"/><bond id="b475" atomRefs2="a442 a441" order="1" mrvSetSeq="1"/><bond id="b476" atomRefs2="a392 a378" order="1" mrvSetSeq="1"/><bond id="b477" atomRefs2="a406 a393" order="1" mrvSetSeq="1"/><bond id="b478" atomRefs2="a415 a410" order="1" mrvSetSeq="1"/><bond id="b479" atomRefs2="a436 a411" order="1" mrvSetSeq="1"/><bond id="b480" atomRefs2="a443 a444" order="1" mrvSetSeq="1"/><bond id="b481" atomRefs2="a443 a445" order="1" mrvSetSeq="1"/><bond id="b482" atomRefs2="a445 a446" order="1" mrvSetSeq="1"/><bond id="b483" atomRefs2="a444 a447" order="1" mrvSetSeq="1"/><bond id="b484" atomRefs2="a447 a448" order="1" mrvSetSeq="1"/><bond id="b485" atomRefs2="a446 a448" order="1" mrvSetSeq="1"/><bond id="b486" atomRefs2="a445 a449" order="1" mrvSetSeq="1"/><bond id="b487" atomRefs2="a449 a450" order="1" mrvSetSeq="1"/><bond id="b488" atomRefs2="a444 a451" order="1"/><bond id="b489" atomRefs2="a443 a452" order="1" mrvSetSeq="1"/><bond id="b490" atomRefs2="a447 a453" order="1" mrvSetSeq="1"/><bond id="b491" atomRefs2="a448 a454" order="1" mrvSetSeq="1"/><bond id="b492" atomRefs2="a460 a455" order="1" mrvSetSeq="1"/><bond id="b493" atomRefs2="a464 a456" order="1" mrvSetSeq="1"/><bond id="b494" atomRefs2="a463 a457" order="1"/><bond id="b495" atomRefs2="a462 a458" order="1" mrvSetSeq="1"/><bond id="b496" atomRefs2="a461 a459" order="1" mrvSetSeq="1"/><bond id="b497" atomRefs2="a460 a459" order="1" mrvSetSeq="1"/><bond id="b498" atomRefs2="a463 a460" order="1" mrvSetSeq="1"/><bond id="b499" atomRefs2="a462 a461" order="1" mrvSetSeq="1"/><bond id="b500" atomRefs2="a464 a462" order="1" mrvSetSeq="1"/><bond id="b501" atomRefs2="a464 a463" order="1" mrvSetSeq="1"/><bond id="b502" atomRefs2="a465 a466" order="1" mrvSetSeq="1"/><bond id="b503" atomRefs2="a465 a467" order="1" mrvSetSeq="1"/><bond id="b504" atomRefs2="a467 a468" order="1" mrvSetSeq="1"/><bond id="b505" atomRefs2="a466 a469" order="1" mrvSetSeq="1"/><bond id="b506" atomRefs2="a469 a470" order="1" mrvSetSeq="1"/><bond id="b507" atomRefs2="a468 a470" order="1" mrvSetSeq="1"/><bond id="b508" atomRefs2="a467 a471" order="1" mrvSetSeq="1"/><bond id="b509" atomRefs2="a466 a472" order="1" mrvSetSeq="1"/><bond id="b510" atomRefs2="a465 a473" order="1" mrvSetSeq="1"/><bond id="b511" atomRefs2="a469 a474" order="1" mrvSetSeq="1"/><bond id="b512" atomRefs2="a470 a475" order="1" mrvSetSeq="1"/><bond id="b513" atomRefs2="a471 a432" order="1" mrvSetSeq="1"/><bond id="b514" atomRefs2="a458 a475" order="1" mrvSetSeq="1"/><bond id="b515" atomRefs2="a459 a450" order="1" mrvSetSeq="1"/><bond id="b516" atomRefs2="a481 a476" order="1" mrvSetSeq="1"/><bond id="b517" atomRefs2="a482 a477" order="1" mrvSetSeq="1"/><bond id="b518" atomRefs2="a486 a478" order="1" mrvSetSeq="1"/><bond id="b519" atomRefs2="a485 a479" order="1"/><bond id="b520" atomRefs2="a484 a480" order="1" mrvSetSeq="1"/><bond id="b521" atomRefs2="a483 a481" order="1" mrvSetSeq="1"/><bond id="b522" atomRefs2="a482 a481" order="1" mrvSetSeq="1"/><bond id="b523" atomRefs2="a485 a482" order="1" mrvSetSeq="1"/><bond id="b524" atomRefs2="a484 a483" order="1" mrvSetSeq="1"/><bond id="b525" atomRefs2="a486 a484" order="1" mrvSetSeq="1"/><bond id="b526" atomRefs2="a486 a485" order="1" mrvSetSeq="1"/><bond id="b527" atomRefs2="a492 a487" order="1" mrvSetSeq="1"/><bond id="b528" atomRefs2="a493 a488" order="1" mrvSetSeq="1"/><bond id="b529" atomRefs2="a497 a489" order="1" mrvSetSeq="1"/><bond id="b530" atomRefs2="a496 a490" order="1"/><bond id="b531" atomRefs2="a495 a491" order="1" mrvSetSeq="1"/><bond id="b532" atomRefs2="a494 a492" order="1" mrvSetSeq="1"/><bond id="b533" atomRefs2="a493 a492" order="1" mrvSetSeq="1"/><bond id="b534" atomRefs2="a496 a493" order="1" mrvSetSeq="1"/><bond id="b535" atomRefs2="a495 a494" order="1" mrvSetSeq="1"/><bond id="b536" atomRefs2="a497 a495" order="1" mrvSetSeq="1"/><bond id="b537" atomRefs2="a497 a496" order="1" mrvSetSeq="1"/><bond id="b538" atomRefs2="a498 a499" order="1" mrvSetSeq="1"/><bond id="b539" atomRefs2="a498 a500" order="1" mrvSetSeq="1"/><bond id="b540" atomRefs2="a500 a501" order="1" mrvSetSeq="1"/><bond id="b541" atomRefs2="a499 a502" order="1" mrvSetSeq="1"/><bond id="b542" atomRefs2="a502 a503" order="1" mrvSetSeq="1"/><bond id="b543" atomRefs2="a501 a503" order="1" mrvSetSeq="1"/><bond id="b544" atomRefs2="a500 a504" order="1" mrvSetSeq="1"/><bond id="b545" atomRefs2="a504 a505" order="1" mrvSetSeq="1"/><bond id="b546" atomRefs2="a499 a506" order="1" mrvSetSeq="1"/><bond id="b547" atomRefs2="a498 a507" order="1" mrvSetSeq="1"/><bond id="b548" atomRefs2="a502 a508" order="1" mrvSetSeq="1"/><bond id="b549" atomRefs2="a503 a509" order="1" mrvSetSeq="1"/><bond id="b550" atomRefs2="a515 a510" order="1" mrvSetSeq="1"/><bond id="b551" atomRefs2="a519 a511" order="1" mrvSetSeq="1"/><bond id="b552" atomRefs2="a518 a512" order="1"/><bond id="b553" atomRefs2="a517 a513" order="1" mrvSetSeq="1"/><bond id="b554" atomRefs2="a516 a514" order="1" mrvSetSeq="1"/><bond id="b555" atomRefs2="a515 a514" order="1" mrvSetSeq="1"/><bond id="b556" atomRefs2="a518 a515" order="1" mrvSetSeq="1"/><bond id="b557" atomRefs2="a517 a516" order="1" mrvSetSeq="1"/><bond id="b558" atomRefs2="a519 a517" order="1" mrvSetSeq="1"/><bond id="b559" atomRefs2="a519 a518" order="1" mrvSetSeq="1"/><bond id="b560" atomRefs2="a513 a454" order="1" mrvSetSeq="1"/><bond id="b561" atomRefs2="a514 a505" order="1" mrvSetSeq="1"/><bond id="b562" atomRefs2="a491 a509" order="1" mrvSetSeq="1"/><bond id="b563" atomRefs2="a480 a487" order="1" mrvSetSeq="1"/><bond id="b564" atomRefs2="a425 a476" order="1" mrvSetSeq="1"/><bond id="b565" atomRefs2="a520 a521" order="1" mrvSetSeq="3"/><bond id="b566" atomRefs2="a521 a522" order="1" mrvSetSeq="3"/><bond id="b567" atomRefs2="a520 a523" order="1" mrvSetSeq="3"/><bond id="b568" atomRefs2="a523 a524" order="1" mrvSetSeq="3"/><bond id="b569" atomRefs2="a522 a524" order="1" mrvSetSeq="3"/><bond id="b570" atomRefs2="a522 a525" order="1" mrvSetSeq="3"/><bond id="b571" atomRefs2="a521 a526" order="1" mrvSetSeq="3"/><bond id="b572" atomRefs2="a524 a527" order="1" mrvSetSeq="3"/><bond id="b573" atomRefs2="a527 a528" order="1" mrvSetSeq="3"/><bond id="b574" atomRefs2="a520 a424" order="1" mrvSetSeq="3"/><bond id="b575" atomRefs2="a529 a530" order="1" mrvSetSeq="1"/><bond id="b576" atomRefs2="a530 a531" order="1" mrvSetSeq="1"/><bond id="b577" atomRefs2="a529 a532" order="1" mrvSetSeq="1"/><bond id="b578" atomRefs2="a532 a533" order="1" mrvSetSeq="1"/><bond id="b579" atomRefs2="a531 a533" order="1" mrvSetSeq="1"/><bond id="b580" atomRefs2="a531 a534" order="1" mrvSetSeq="1"/><bond id="b581" atomRefs2="a530 a535" order="1" mrvSetSeq="1"/><bond id="b582" atomRefs2="a533 a536" order="1" mrvSetSeq="1"/><bond id="b583" atomRefs2="a536 a537" order="1" mrvSetSeq="1"/><bond id="b584" atomRefs2="a538 a539" order="1" mrvSetSeq="3"/><bond id="b585" atomRefs2="a539 a540" order="1" mrvSetSeq="3"/><bond id="b586" atomRefs2="a538 a541" order="1" mrvSetSeq="3"/><bond id="b587" atomRefs2="a541 a542" order="1" mrvSetSeq="3"/><bond id="b588" atomRefs2="a540 a542" order="1" mrvSetSeq="3"/><bond id="b589" atomRefs2="a540 a543" order="1" mrvSetSeq="3"/><bond id="b590" atomRefs2="a539 a544" order="1" mrvSetSeq="3"/><bond id="b591" atomRefs2="a542 a545" order="1" mrvSetSeq="3"/><bond id="b592" atomRefs2="a545 a546" order="1" mrvSetSeq="3"/><bond id="b593" atomRefs2="a538 a479" order="1" mrvSetSeq="3"/><bond id="b594" atomRefs2="a547 a548" order="1" mrvSetSeq="3"/><bond id="b595" atomRefs2="a548 a549" order="1" mrvSetSeq="3"/><bond id="b596" atomRefs2="a547 a550" order="1" mrvSetSeq="3"/><bond id="b597" atomRefs2="a550 a551" order="1" mrvSetSeq="3"/><bond id="b598" atomRefs2="a549 a551" order="1" mrvSetSeq="3"/><bond id="b599" atomRefs2="a549 a552" order="1" mrvSetSeq="3"/><bond id="b600" atomRefs2="a548 a553" order="1" mrvSetSeq="3"/><bond id="b601" atomRefs2="a551 a554" order="1" mrvSetSeq="3"/><bond id="b602" atomRefs2="a554 a555" order="1" mrvSetSeq="3"/><bond id="b603" atomRefs2="a547 a490" order="1" mrvSetSeq="3"/><bond id="b604" atomRefs2="a556 a557" order="1" mrvSetSeq="3"/><bond id="b605" atomRefs2="a557 a558" order="1" mrvSetSeq="3"/><bond id="b606" atomRefs2="a556 a559" order="1" mrvSetSeq="3"/><bond id="b607" atomRefs2="a559 a560" order="1" mrvSetSeq="3"/><bond id="b608" atomRefs2="a558 a560" order="1" mrvSetSeq="3"/><bond id="b609" atomRefs2="a558 a561" order="1" mrvSetSeq="3"/><bond id="b610" atomRefs2="a557 a562" order="1" mrvSetSeq="3"/><bond id="b611" atomRefs2="a560 a563" order="1" mrvSetSeq="3"/><bond id="b612" atomRefs2="a563 a564" order="1" mrvSetSeq="3"/><bond id="b613" atomRefs2="a556 a506" order="1"/><bond id="b614" atomRefs2="a565 a566" order="1" mrvSetSeq="3"/><bond id="b615" atomRefs2="a566 a567" order="1" mrvSetSeq="3"/><bond id="b616" atomRefs2="a565 a568" order="1" mrvSetSeq="3"/><bond id="b617" atomRefs2="a568 a569" order="1" mrvSetSeq="3"/><bond id="b618" atomRefs2="a567 a569" order="1" mrvSetSeq="3"/><bond id="b619" atomRefs2="a567 a570" order="1" mrvSetSeq="3"/><bond id="b620" atomRefs2="a566 a571" order="1" mrvSetSeq="3"/><bond id="b621" atomRefs2="a569 a572" order="1" mrvSetSeq="3"/><bond id="b622" atomRefs2="a572 a573" order="1" mrvSetSeq="3"/><bond id="b623" atomRefs2="a565 a512" order="1" mrvSetSeq="3"/><bond id="b624" atomRefs2="a574 a575" order="1" mrvSetSeq="3"/><bond id="b625" atomRefs2="a575 a576" order="1" mrvSetSeq="3"/><bond id="b626" atomRefs2="a574 a577" order="1" mrvSetSeq="3"/><bond id="b627" atomRefs2="a577 a578" order="1" mrvSetSeq="3"/><bond id="b628" atomRefs2="a576 a578" order="1" mrvSetSeq="3"/><bond id="b629" atomRefs2="a576 a579" order="1" mrvSetSeq="3"/><bond id="b630" atomRefs2="a575 a580" order="1" mrvSetSeq="3"/><bond id="b631" atomRefs2="a578 a581" order="1" mrvSetSeq="3"/><bond id="b632" atomRefs2="a581 a582" order="1" mrvSetSeq="3"/><bond id="b633" atomRefs2="a574 a457" order="1" mrvSetSeq="3"/><bond id="b634" atomRefs2="a583 a584" order="1" mrvSetSeq="3"/><bond id="b635" atomRefs2="a584 a585" order="1" mrvSetSeq="3"/><bond id="b636" atomRefs2="a583 a586" order="1" mrvSetSeq="3"/><bond id="b637" atomRefs2="a586 a587" order="1" mrvSetSeq="3"/><bond id="b638" atomRefs2="a585 a587" order="1" mrvSetSeq="3"/><bond id="b639" atomRefs2="a585 a588" order="1" mrvSetSeq="3"/><bond id="b640" atomRefs2="a584 a589" order="1" mrvSetSeq="3"/><bond id="b641" atomRefs2="a587 a590" order="1" mrvSetSeq="3"/><bond id="b642" atomRefs2="a590 a591" order="1" mrvSetSeq="3"/><bond id="b643" atomRefs2="a583 a451" order="1" mrvSetSeq="3"/><bond id="b644" atomRefs2="a592 a593" order="1" mrvSetSeq="3"/><bond id="b645" atomRefs2="a593 a594" order="1" mrvSetSeq="3"/><bond id="b646" atomRefs2="a592 a595" order="1" mrvSetSeq="3"/><bond id="b647" atomRefs2="a595 a596" order="1" mrvSetSeq="3"/><bond id="b648" atomRefs2="a594 a596" order="1" mrvSetSeq="3"/><bond id="b649" atomRefs2="a594 a597" order="1" mrvSetSeq="3"/><bond id="b650" atomRefs2="a593 a598" order="1" mrvSetSeq="3"/><bond id="b651" atomRefs2="a596 a599" order="1" mrvSetSeq="3"/><bond id="b652" atomRefs2="a599 a600" order="1" mrvSetSeq="3"/><bond id="b653" atomRefs2="a592 a435" order="1"/><bond id="b654" atomRefs2="a601 a602" order="1" mrvSetSeq="1"/><bond id="b655" atomRefs2="a602 a603" order="1" mrvSetSeq="1"/><bond id="b656" atomRefs2="a601 a604" order="1" mrvSetSeq="1"/><bond id="b657" atomRefs2="a604 a605" order="1" mrvSetSeq="1"/><bond id="b658" atomRefs2="a603 a605" order="1" mrvSetSeq="1"/><bond id="b659" atomRefs2="a603 a606" order="1" mrvSetSeq="1"/><bond id="b660" atomRefs2="a602 a607" order="1" mrvSetSeq="1"/><bond id="b661" atomRefs2="a605 a608" order="1" mrvSetSeq="1"/><bond id="b662" atomRefs2="a608 a609" order="1" mrvSetSeq="1"/><bond id="b663" atomRefs2="a610 a611" order="1" mrvSetSeq="1"/><bond id="b664" atomRefs2="a611 a612" order="1" mrvSetSeq="1"/><bond id="b665" atomRefs2="a610 a613" order="1" mrvSetSeq="1"/><bond id="b666" atomRefs2="a613 a614" order="1" mrvSetSeq="1"/><bond id="b667" atomRefs2="a612 a614" order="1" mrvSetSeq="1"/><bond id="b668" atomRefs2="a612 a615" order="1" mrvSetSeq="1"/><bond id="b669" atomRefs2="a611 a616" order="1" mrvSetSeq="1"/><bond id="b670" atomRefs2="a614 a617" order="1" mrvSetSeq="1"/><bond id="b671" atomRefs2="a617 a618" order="1" mrvSetSeq="1"/><bond id="b672" atomRefs2="a619 a620" order="1" mrvSetSeq="1"/><bond id="b673" atomRefs2="a620 a621" order="1" mrvSetSeq="1"/><bond id="b674" atomRefs2="a619 a622" order="1" mrvSetSeq="1"/><bond id="b675" atomRefs2="a622 a623" order="1" mrvSetSeq="1"/><bond id="b676" atomRefs2="a621 a623" order="1" mrvSetSeq="1"/><bond id="b677" atomRefs2="a621 a624" order="1" mrvSetSeq="1"/><bond id="b678" atomRefs2="a620 a625" order="1" mrvSetSeq="1"/><bond id="b679" atomRefs2="a623 a626" order="1" mrvSetSeq="1"/><bond id="b680" atomRefs2="a626 a627" order="1" mrvSetSeq="1"/><bond id="b681" atomRefs2="a619 a370" order="1" mrvSetSeq="1"/><bond id="b682" atomRefs2="a610 a381" order="1" mrvSetSeq="1"/><bond id="b683" atomRefs2="a601 a407" order="1" mrvSetSeq="1"/><bond id="b684" atomRefs2="a628 a629" order="1" mrvSetSeq="1"/><bond id="b685" atomRefs2="a628 a630" order="1" mrvSetSeq="1"/><bond id="b686" atomRefs2="a630 a631" order="1" mrvSetSeq="1"/><bond id="b687" atomRefs2="a629 a632" order="1" mrvSetSeq="1"/><bond id="b688" atomRefs2="a632 a633" order="1" mrvSetSeq="1"/><bond id="b689" atomRefs2="a631 a633" order="1" mrvSetSeq="1"/><bond id="b690" atomRefs2="a630 a634" order="1" mrvSetSeq="1"/><bond id="b691" atomRefs2="a634 a635" order="1" mrvSetSeq="1"/><bond id="b692" atomRefs2="a629 a636" order="1" mrvSetSeq="1"/><bond id="b693" atomRefs2="a628 a637" order="1" mrvSetSeq="1"/><bond id="b694" atomRefs2="a632 a638" order="1" mrvSetSeq="1"/><bond id="b695" atomRefs2="a633 a337" order="1" mrvSetSeq="1"/><bond id="b696" atomRefs2="a639 a640" order="1" mrvSetSeq="1"/><bond id="b697" atomRefs2="a639 a641" order="1" mrvSetSeq="1"/><bond id="b698" atomRefs2="a641 a642" order="1" mrvSetSeq="1"/><bond id="b699" atomRefs2="a640 a643" order="1" mrvSetSeq="1"/><bond id="b700" atomRefs2="a643 a644" order="1" mrvSetSeq="1"/><bond id="b701" atomRefs2="a642 a644" order="1" mrvSetSeq="1"/><bond id="b702" atomRefs2="a641 a645" order="1" mrvSetSeq="1"/><bond id="b703" atomRefs2="a645 a646" order="1" mrvSetSeq="1"/><bond id="b704" atomRefs2="a640 a647" order="1" mrvSetSeq="1"/><bond id="b705" atomRefs2="a639 a648" order="1" mrvSetSeq="1"/><bond id="b706" atomRefs2="a643 a649" order="1" mrvSetSeq="1"/><bond id="b707" atomRefs2="a650 a651" order="1" mrvSetSeq="1"/><bond id="b708" atomRefs2="a650 a652" order="1" mrvSetSeq="1"/><bond id="b709" atomRefs2="a652 a653" order="1" mrvSetSeq="1"/><bond id="b710" atomRefs2="a651 a654" order="1" mrvSetSeq="1"/><bond id="b711" atomRefs2="a654 a655" order="1" mrvSetSeq="1"/><bond id="b712" atomRefs2="a653 a655" order="1" mrvSetSeq="1"/><bond id="b713" atomRefs2="a652 a656" order="1" mrvSetSeq="1"/><bond id="b714" atomRefs2="a656 a657" order="1" mrvSetSeq="1"/><bond id="b715" atomRefs2="a651 a658" order="1" mrvSetSeq="1"/><bond id="b716" atomRefs2="a650 a659" order="1" mrvSetSeq="1"/><bond id="b717" atomRefs2="a654 a660" order="1" mrvSetSeq="1"/><bond id="b718" atomRefs2="a661 a662" order="1" mrvSetSeq="1"/><bond id="b719" atomRefs2="a661 a663" order="1" mrvSetSeq="1"/><bond id="b720" atomRefs2="a663 a664" order="1" mrvSetSeq="1"/><bond id="b721" atomRefs2="a662 a665" order="1" mrvSetSeq="1"/><bond id="b722" atomRefs2="a665 a666" order="1" mrvSetSeq="1"/><bond id="b723" atomRefs2="a664 a666" order="1" mrvSetSeq="1"/><bond id="b724" atomRefs2="a663 a667" order="1" mrvSetSeq="1"/><bond id="b725" atomRefs2="a667 a668" order="1" mrvSetSeq="1"/><bond id="b726" atomRefs2="a662 a669" order="1" mrvSetSeq="1"/><bond id="b727" atomRefs2="a661 a670" order="1" mrvSetSeq="1"/><bond id="b728" atomRefs2="a665 a671" order="1" mrvSetSeq="1"/><bond id="b729" atomRefs2="a644 a636" order="1" mrvSetSeq="1"/><bond id="b730" atomRefs2="a655 a647" order="1" mrvSetSeq="1"/><bond id="b731" atomRefs2="a666 a658" order="1" mrvSetSeq="1"/><bond id="b732" atomRefs2="a529 a669" order="1" mrvSetSeq="1"/><bond id="b733" atomRefs2="a426 a207" order="1"/><bond id="b734" atomRefs2="a293 a198" order="1"/><bond id="b735" atomRefs2="a681 a691" order="1" mrvSetSeq="3"/><bond id="b736" atomRefs2="a699 a709" order="1" mrvSetSeq="3"/><bond id="b737" atomRefs2="a672 a682" order="1" mrvSetSeq="3"/><bond id="b738" atomRefs2="a676 a672" order="1" mrvSetSeq="3"/><bond id="b739" atomRefs2="a680 a673" order="1" mrvSetSeq="3"/><bond id="b740" atomRefs2="a679 a674" order="1" mrvSetSeq="3"/><bond id="b741" atomRefs2="a678 a675" order="1" mrvSetSeq="3"/><bond id="b742" atomRefs2="a678 a676" order="1" mrvSetSeq="3"/><bond id="b743" atomRefs2="a677 a676" order="1" mrvSetSeq="3"/><bond id="b744" atomRefs2="a680 a677" order="1" mrvSetSeq="3"/><bond id="b745" atomRefs2="a679 a678" order="1" mrvSetSeq="3"/><bond id="b746" atomRefs2="a680 a679" order="1" mrvSetSeq="3"/><bond id="b747" atomRefs2="a685 a681" order="1" mrvSetSeq="3"/><bond id="b748" atomRefs2="a689 a682" order="1" mrvSetSeq="3"/><bond id="b749" atomRefs2="a688 a683" order="1" mrvSetSeq="3"/><bond id="b750" atomRefs2="a687 a684" order="1" mrvSetSeq="3"/><bond id="b751" atomRefs2="a687 a685" order="1" mrvSetSeq="3"/><bond id="b752" atomRefs2="a686 a685" order="1" mrvSetSeq="3"/><bond id="b753" atomRefs2="a689 a686" order="1" mrvSetSeq="3"/><bond id="b754" atomRefs2="a688 a687" order="1" mrvSetSeq="3"/><bond id="b755" atomRefs2="a689 a688" order="1" mrvSetSeq="3"/><bond id="b756" atomRefs2="a690 a700" order="1" mrvSetSeq="3"/><bond id="b757" atomRefs2="a694 a690" order="1" mrvSetSeq="3"/><bond id="b758" atomRefs2="a698 a691" order="1" mrvSetSeq="3"/><bond id="b759" atomRefs2="a697 a692" order="1" mrvSetSeq="3"/><bond id="b760" atomRefs2="a696 a693" order="1" mrvSetSeq="3"/><bond id="b761" atomRefs2="a696 a694" order="1" mrvSetSeq="3"/><bond id="b762" atomRefs2="a695 a694" order="1" mrvSetSeq="3"/><bond id="b763" atomRefs2="a698 a695" order="1" mrvSetSeq="3"/><bond id="b764" atomRefs2="a697 a696" order="1" mrvSetSeq="3"/><bond id="b765" atomRefs2="a698 a697" order="1" mrvSetSeq="3"/><bond id="b766" atomRefs2="a703 a699" order="1" mrvSetSeq="3"/><bond id="b767" atomRefs2="a707 a700" order="1" mrvSetSeq="3"/><bond id="b768" atomRefs2="a706 a701" order="1" mrvSetSeq="3"/><bond id="b769" atomRefs2="a705 a702" order="1" mrvSetSeq="3"/><bond id="b770" atomRefs2="a705 a703" order="1" mrvSetSeq="3"/><bond id="b771" atomRefs2="a704 a703" order="1" mrvSetSeq="3"/><bond id="b772" atomRefs2="a707 a704" order="1" mrvSetSeq="3"/><bond id="b773" atomRefs2="a706 a705" order="1" mrvSetSeq="3"/><bond id="b774" atomRefs2="a707 a706" order="1" mrvSetSeq="3"/><bond id="b775" atomRefs2="a708 a718" order="1" mrvSetSeq="3"/><bond id="b776" atomRefs2="a712 a708" order="1" mrvSetSeq="3"/><bond id="b777" atomRefs2="a716 a709" order="1" mrvSetSeq="3"/><bond id="b778" atomRefs2="a715 a710" order="1" mrvSetSeq="3"/><bond id="b779" atomRefs2="a714 a711" order="1" mrvSetSeq="3"/><bond id="b780" atomRefs2="a714 a712" order="1" mrvSetSeq="3"/><bond id="b781" atomRefs2="a713 a712" order="1" mrvSetSeq="3"/><bond id="b782" atomRefs2="a716 a713" order="1" mrvSetSeq="3"/><bond id="b783" atomRefs2="a715 a714" order="1" mrvSetSeq="3"/><bond id="b784" atomRefs2="a716 a715" order="1" mrvSetSeq="3"/><bond id="b785" atomRefs2="a721 a717" order="1" mrvSetSeq="3"/><bond id="b786" atomRefs2="a725 a718" order="1" mrvSetSeq="3"/><bond id="b787" atomRefs2="a724 a719" order="1" mrvSetSeq="3"/><bond id="b788" atomRefs2="a723 a720" order="1" mrvSetSeq="3"/><bond id="b789" atomRefs2="a723 a721" order="1" mrvSetSeq="3"/><bond id="b790" atomRefs2="a722 a721" order="1" mrvSetSeq="3"/><bond id="b791" atomRefs2="a725 a722" order="1" mrvSetSeq="3"/><bond id="b792" atomRefs2="a724 a723" order="1" mrvSetSeq="3"/><bond id="b793" atomRefs2="a725 a724" order="1" mrvSetSeq="3"/><bond id="b794" atomRefs2="a726 a727" order="1" mrvSetSeq="3"/><bond id="b795" atomRefs2="a727 a728" order="1" mrvSetSeq="3"/><bond id="b796" atomRefs2="a726 a729" order="1" mrvSetSeq="3"/><bond id="b797" atomRefs2="a729 a730" order="1" mrvSetSeq="3"/><bond id="b798" atomRefs2="a728 a730" order="1" mrvSetSeq="3"/><bond id="b799" atomRefs2="a728 a731" order="1" mrvSetSeq="3"/><bond id="b800" atomRefs2="a727 a732" order="1" mrvSetSeq="3"/><bond id="b801" atomRefs2="a730 a733" order="1" mrvSetSeq="3"/><bond id="b802" atomRefs2="a733 a734" order="1" mrvSetSeq="3"/><bond id="b803" atomRefs2="a735 a736" order="1" mrvSetSeq="3"/><bond id="b804" atomRefs2="a736 a737" order="1" mrvSetSeq="3"/><bond id="b805" atomRefs2="a735 a738" order="1" mrvSetSeq="3"/><bond id="b806" atomRefs2="a738 a739" order="1" mrvSetSeq="3"/><bond id="b807" atomRefs2="a737 a739" order="1" mrvSetSeq="3"/><bond id="b808" atomRefs2="a737 a740" order="1" mrvSetSeq="3"/><bond id="b809" atomRefs2="a736 a741" order="1" mrvSetSeq="3"/><bond id="b810" atomRefs2="a739 a742" order="1" mrvSetSeq="3"/><bond id="b811" atomRefs2="a742 a743" order="1" mrvSetSeq="3"/><bond id="b812" atomRefs2="a735 a731" order="1" mrvSetSeq="3"/><bond id="b813" atomRefs2="a744 a754" order="1" mrvSetSeq="3"/><bond id="b814" atomRefs2="a748 a744" order="1" mrvSetSeq="3"/><bond id="b815" atomRefs2="a752 a745" order="1" mrvSetSeq="3"/><bond id="b816" atomRefs2="a751 a746" order="1" mrvSetSeq="3"/><bond id="b817" atomRefs2="a750 a747" order="1" mrvSetSeq="3"/><bond id="b818" atomRefs2="a750 a748" order="1" mrvSetSeq="3"/><bond id="b819" atomRefs2="a749 a748" order="1" mrvSetSeq="3"/><bond id="b820" atomRefs2="a752 a749" order="1" mrvSetSeq="3"/><bond id="b821" atomRefs2="a751 a750" order="1" mrvSetSeq="3"/><bond id="b822" atomRefs2="a752 a751" order="1" mrvSetSeq="3"/><bond id="b823" atomRefs2="a753 a763" order="1" mrvSetSeq="3"/><bond id="b824" atomRefs2="a757 a753" order="1" mrvSetSeq="3"/><bond id="b825" atomRefs2="a761 a754" order="1" mrvSetSeq="3"/><bond id="b826" atomRefs2="a760 a755" order="1" mrvSetSeq="3"/><bond id="b827" atomRefs2="a759 a756" order="1" mrvSetSeq="3"/><bond id="b828" atomRefs2="a759 a757" order="1" mrvSetSeq="3"/><bond id="b829" atomRefs2="a758 a757" order="1" mrvSetSeq="3"/><bond id="b830" atomRefs2="a761 a758" order="1" mrvSetSeq="3"/><bond id="b831" atomRefs2="a760 a759" order="1" mrvSetSeq="3"/><bond id="b832" atomRefs2="a761 a760" order="1" mrvSetSeq="3"/><bond id="b833" atomRefs2="a765 a762" order="1" mrvSetSeq="3"/><bond id="b834" atomRefs2="a769 a763" order="1" mrvSetSeq="3"/><bond id="b835" atomRefs2="a767 a764" order="1" mrvSetSeq="3"/><bond id="b836" atomRefs2="a767 a765" order="1" mrvSetSeq="3"/><bond id="b837" atomRefs2="a766 a765" order="1" mrvSetSeq="3"/><bond id="b838" atomRefs2="a769 a766" order="1" mrvSetSeq="3"/><bond id="b839" atomRefs2="a768 a767" order="1" mrvSetSeq="3"/><bond id="b840" atomRefs2="a769 a768" order="1" mrvSetSeq="3"/><bond id="b841" atomRefs2="a768 a770" order="1" mrvSetSeq="3"/><bond id="b842" atomRefs2="a771 a781" order="1" mrvSetSeq="3"/><bond id="b843" atomRefs2="a775 a771" order="1" mrvSetSeq="3"/><bond id="b844" atomRefs2="a779 a772" order="1" mrvSetSeq="3"/><bond id="b845" atomRefs2="a778 a773" order="1" mrvSetSeq="3"/><bond id="b846" atomRefs2="a777 a774" order="1" mrvSetSeq="3"/><bond id="b847" atomRefs2="a777 a775" order="1" mrvSetSeq="3"/><bond id="b848" atomRefs2="a776 a775" order="1" mrvSetSeq="3"/><bond id="b849" atomRefs2="a779 a776" order="1" mrvSetSeq="3"/><bond id="b850" atomRefs2="a778 a777" order="1" mrvSetSeq="3"/><bond id="b851" atomRefs2="a779 a778" order="1" mrvSetSeq="3"/><bond id="b852" atomRefs2="a784 a780" order="1" mrvSetSeq="3"/><bond id="b853" atomRefs2="a788 a781" order="1" mrvSetSeq="3"/><bond id="b854" atomRefs2="a787 a782" order="1" mrvSetSeq="3"/><bond id="b855" atomRefs2="a786 a783" order="1" mrvSetSeq="3"/><bond id="b856" atomRefs2="a786 a784" order="1" mrvSetSeq="3"/><bond id="b857" atomRefs2="a785 a784" order="1" mrvSetSeq="3"/><bond id="b858" atomRefs2="a788 a785" order="1" mrvSetSeq="3"/><bond id="b859" atomRefs2="a787 a786" order="1" mrvSetSeq="3"/><bond id="b860" atomRefs2="a788 a787" order="1" mrvSetSeq="3"/><bond id="b861" atomRefs2="a789 a798" order="1" mrvSetSeq="3"/><bond id="b862" atomRefs2="a792 a789" order="1" mrvSetSeq="3"/><bond id="b863" atomRefs2="a795 a790" order="1" mrvSetSeq="3"/><bond id="b864" atomRefs2="a794 a791" order="1" mrvSetSeq="3"/><bond id="b865" atomRefs2="a794 a792" order="1" mrvSetSeq="3"/><bond id="b866" atomRefs2="a793 a792" order="1" mrvSetSeq="3"/><bond id="b867" atomRefs2="a796 a793" order="1" mrvSetSeq="3"/><bond id="b868" atomRefs2="a795 a794" order="1" mrvSetSeq="3"/><bond id="b869" atomRefs2="a796 a795" order="1" mrvSetSeq="3"/><bond id="b870" atomRefs2="a801 a797" order="1" mrvSetSeq="3"/><bond id="b871" atomRefs2="a805 a798" order="1" mrvSetSeq="3"/><bond id="b872" atomRefs2="a804 a799" order="1" mrvSetSeq="3"/><bond id="b873" atomRefs2="a803 a800" order="1" mrvSetSeq="3"/><bond id="b874" atomRefs2="a803 a801" order="1" mrvSetSeq="3"/><bond id="b875" atomRefs2="a802 a801" order="1" mrvSetSeq="3"/><bond id="b876" atomRefs2="a805 a802" order="1" mrvSetSeq="3"/><bond id="b877" atomRefs2="a804 a803" order="1" mrvSetSeq="3"/><bond id="b878" atomRefs2="a805 a804" order="1" mrvSetSeq="3"/><bond id="b879" atomRefs2="a797 a772" order="1" mrvSetSeq="3"/><bond id="b880" atomRefs2="a780 a745" order="1" mrvSetSeq="3"/><bond id="b881" atomRefs2="a762 a673" order="1" mrvSetSeq="3"/><bond id="b882" atomRefs2="a806 a814" order="1" mrvSetSeq="3"/><bond id="b883" atomRefs2="a809 a806" order="1" mrvSetSeq="3"/><bond id="b884" atomRefs2="a812 a807" order="1" mrvSetSeq="3"/><bond id="b885" atomRefs2="a811 a808" order="1" mrvSetSeq="3"/><bond id="b886" atomRefs2="a811 a809" order="1" mrvSetSeq="3"/><bond id="b887" atomRefs2="a810 a809" order="1" mrvSetSeq="3"/><bond id="b888" atomRefs2="a813 a810" order="1" mrvSetSeq="3"/><bond id="b889" atomRefs2="a812 a811" order="1" mrvSetSeq="3"/><bond id="b890" atomRefs2="a813 a812" order="1" mrvSetSeq="3"/><bond id="b891" atomRefs2="a796 a814" order="1" mrvSetSeq="3"/><bond id="b892" atomRefs2="a824 a834" order="1" mrvSetSeq="3"/><bond id="b893" atomRefs2="a842 a852" order="1" mrvSetSeq="3"/><bond id="b894" atomRefs2="a815 a825" order="1" mrvSetSeq="3"/><bond id="b895" atomRefs2="a819 a815" order="1" mrvSetSeq="3"/><bond id="b896" atomRefs2="a823 a816" order="1" mrvSetSeq="3"/><bond id="b897" atomRefs2="a822 a817" order="1" mrvSetSeq="3"/><bond id="b898" atomRefs2="a821 a818" order="1" mrvSetSeq="3"/><bond id="b899" atomRefs2="a821 a819" order="1" mrvSetSeq="3"/><bond id="b900" atomRefs2="a820 a819" order="1" mrvSetSeq="3"/><bond id="b901" atomRefs2="a823 a820" order="1" mrvSetSeq="3"/><bond id="b902" atomRefs2="a822 a821" order="1" mrvSetSeq="3"/><bond id="b903" atomRefs2="a823 a822" order="1" mrvSetSeq="3"/><bond id="b904" atomRefs2="a828 a824" order="1" mrvSetSeq="3"/><bond id="b905" atomRefs2="a832 a825" order="1" mrvSetSeq="3"/><bond id="b906" atomRefs2="a831 a826" order="1" mrvSetSeq="3"/><bond id="b907" atomRefs2="a830 a827" order="1" mrvSetSeq="3"/><bond id="b908" atomRefs2="a830 a828" order="1" mrvSetSeq="3"/><bond id="b909" atomRefs2="a829 a828" order="1" mrvSetSeq="3"/><bond id="b910" atomRefs2="a832 a829" order="1" mrvSetSeq="3"/><bond id="b911" atomRefs2="a831 a830" order="1" mrvSetSeq="3"/><bond id="b912" atomRefs2="a832 a831" order="1" mrvSetSeq="3"/><bond id="b913" atomRefs2="a833 a843" order="1" mrvSetSeq="3"/><bond id="b914" atomRefs2="a837 a833" order="1" mrvSetSeq="3"/><bond id="b915" atomRefs2="a841 a834" order="1" mrvSetSeq="3"/><bond id="b916" atomRefs2="a840 a835" order="1" mrvSetSeq="3"/><bond id="b917" atomRefs2="a839 a836" order="1" mrvSetSeq="3"/><bond id="b918" atomRefs2="a839 a837" order="1" mrvSetSeq="3"/><bond id="b919" atomRefs2="a838 a837" order="1" mrvSetSeq="3"/><bond id="b920" atomRefs2="a841 a838" order="1" mrvSetSeq="3"/><bond id="b921" atomRefs2="a840 a839" order="1" mrvSetSeq="3"/><bond id="b922" atomRefs2="a841 a840" order="1" mrvSetSeq="3"/><bond id="b923" atomRefs2="a846 a842" order="1" mrvSetSeq="3"/><bond id="b924" atomRefs2="a850 a843" order="1" mrvSetSeq="3"/><bond id="b925" atomRefs2="a849 a844" order="1" mrvSetSeq="3"/><bond id="b926" atomRefs2="a848 a845" order="1" mrvSetSeq="3"/><bond id="b927" atomRefs2="a848 a846" order="1" mrvSetSeq="3"/><bond id="b928" atomRefs2="a847 a846" order="1" mrvSetSeq="3"/><bond id="b929" atomRefs2="a850 a847" order="1" mrvSetSeq="3"/><bond id="b930" atomRefs2="a849 a848" order="1" mrvSetSeq="3"/><bond id="b931" atomRefs2="a850 a849" order="1" mrvSetSeq="3"/><bond id="b932" atomRefs2="a851 a861" order="1" mrvSetSeq="3"/><bond id="b933" atomRefs2="a855 a851" order="1" mrvSetSeq="3"/><bond id="b934" atomRefs2="a859 a852" order="1" mrvSetSeq="3"/><bond id="b935" atomRefs2="a858 a853" order="1" mrvSetSeq="3"/><bond id="b936" atomRefs2="a857 a854" order="1" mrvSetSeq="3"/><bond id="b937" atomRefs2="a857 a855" order="1" mrvSetSeq="3"/><bond id="b938" atomRefs2="a856 a855" order="1" mrvSetSeq="3"/><bond id="b939" atomRefs2="a859 a856" order="1" mrvSetSeq="3"/><bond id="b940" atomRefs2="a858 a857" order="1" mrvSetSeq="3"/><bond id="b941" atomRefs2="a859 a858" order="1" mrvSetSeq="3"/><bond id="b942" atomRefs2="a864 a860" order="1" mrvSetSeq="3"/><bond id="b943" atomRefs2="a868 a861" order="1" mrvSetSeq="3"/><bond id="b944" atomRefs2="a867 a862" order="1" mrvSetSeq="3"/><bond id="b945" atomRefs2="a866 a863" order="1" mrvSetSeq="3"/><bond id="b946" atomRefs2="a866 a864" order="1" mrvSetSeq="3"/><bond id="b947" atomRefs2="a865 a864" order="1" mrvSetSeq="3"/><bond id="b948" atomRefs2="a868 a865" order="1" mrvSetSeq="3"/><bond id="b949" atomRefs2="a867 a866" order="1" mrvSetSeq="3"/><bond id="b950" atomRefs2="a868 a867" order="1" mrvSetSeq="3"/><bond id="b951" atomRefs2="a872 a869" order="1" mrvSetSeq="3"/><bond id="b952" atomRefs2="a876 a870" order="1" mrvSetSeq="3"/><bond id="b953" atomRefs2="a874 a871" order="1" mrvSetSeq="3"/><bond id="b954" atomRefs2="a874 a872" order="1" mrvSetSeq="3"/><bond id="b955" atomRefs2="a873 a872" order="1" mrvSetSeq="3"/><bond id="b956" atomRefs2="a876 a873" order="1" mrvSetSeq="3"/><bond id="b957" atomRefs2="a875 a874" order="1" mrvSetSeq="3"/><bond id="b958" atomRefs2="a876 a875" order="1" mrvSetSeq="3"/><bond id="b959" atomRefs2="a875 a877" order="1" mrvSetSeq="3"/><bond id="b960" atomRefs2="a869 a816" order="1" mrvSetSeq="3"/><bond id="b961" atomRefs2="a717 a870" order="1" mrvSetSeq="3"/><bond id="b962" atomRefs2="a882 a878" order="1" mrvSetSeq="3"/><bond id="b963" atomRefs2="a886 a879" order="1" mrvSetSeq="3"/><bond id="b964" atomRefs2="a885 a880" order="1" mrvSetSeq="3"/><bond id="b965" atomRefs2="a884 a881" order="1" mrvSetSeq="3"/><bond id="b966" atomRefs2="a884 a882" order="1" mrvSetSeq="3"/><bond id="b967" atomRefs2="a883 a882" order="1" mrvSetSeq="3"/><bond id="b968" atomRefs2="a886 a883" order="1" mrvSetSeq="3"/><bond id="b969" atomRefs2="a885 a884" order="1" mrvSetSeq="3"/><bond id="b970" atomRefs2="a886 a885" order="1" mrvSetSeq="3"/><bond id="b971" atomRefs2="a860 a879" order="1" mrvSetSeq="3"/><bond id="b972" atomRefs2="a896 a906" order="1" mrvSetSeq="3"/><bond id="b973" atomRefs2="a914 a924" order="1" mrvSetSeq="3"/><bond id="b974" atomRefs2="a887 a897" order="1" mrvSetSeq="3"/><bond id="b975" atomRefs2="a891 a887" order="1" mrvSetSeq="3"/><bond id="b976" atomRefs2="a895 a888" order="1" mrvSetSeq="3"/><bond id="b977" atomRefs2="a894 a889" order="1" mrvSetSeq="3"/><bond id="b978" atomRefs2="a893 a890" order="1" mrvSetSeq="3"/><bond id="b979" atomRefs2="a893 a891" order="1" mrvSetSeq="3"/><bond id="b980" atomRefs2="a892 a891" order="1" mrvSetSeq="3"/><bond id="b981" atomRefs2="a895 a892" order="1" mrvSetSeq="3"/><bond id="b982" atomRefs2="a894 a893" order="1" mrvSetSeq="3"/><bond id="b983" atomRefs2="a895 a894" order="1" mrvSetSeq="3"/><bond id="b984" atomRefs2="a900 a896" order="1" mrvSetSeq="3"/><bond id="b985" atomRefs2="a904 a897" order="1" mrvSetSeq="3"/><bond id="b986" atomRefs2="a903 a898" order="1" mrvSetSeq="3"/><bond id="b987" atomRefs2="a902 a899" order="1" mrvSetSeq="3"/><bond id="b988" atomRefs2="a902 a900" order="1" mrvSetSeq="3"/><bond id="b989" atomRefs2="a901 a900" order="1" mrvSetSeq="3"/><bond id="b990" atomRefs2="a904 a901" order="1" mrvSetSeq="3"/><bond id="b991" atomRefs2="a903 a902" order="1" mrvSetSeq="3"/><bond id="b992" atomRefs2="a904 a903" order="1" mrvSetSeq="3"/><bond id="b993" atomRefs2="a905 a915" order="1" mrvSetSeq="3"/><bond id="b994" atomRefs2="a909 a905" order="1" mrvSetSeq="3"/><bond id="b995" atomRefs2="a913 a906" order="1" mrvSetSeq="3"/><bond id="b996" atomRefs2="a912 a907" order="1" mrvSetSeq="3"/><bond id="b997" atomRefs2="a911 a908" order="1" mrvSetSeq="3"/><bond id="b998" atomRefs2="a911 a909" order="1" mrvSetSeq="3"/><bond id="b999" atomRefs2="a910 a909" order="1" mrvSetSeq="3"/><bond id="b1000" atomRefs2="a913 a910" order="1" mrvSetSeq="3"/><bond id="b1001" atomRefs2="a912 a911" order="1" mrvSetSeq="3"/><bond id="b1002" atomRefs2="a913 a912" order="1" mrvSetSeq="3"/><bond id="b1003" atomRefs2="a918 a914" order="1" mrvSetSeq="3"/><bond id="b1004" atomRefs2="a922 a915" order="1" mrvSetSeq="3"/><bond id="b1005" atomRefs2="a921 a916" order="1" mrvSetSeq="3"/><bond id="b1006" atomRefs2="a920 a917" order="1" mrvSetSeq="3"/><bond id="b1007" atomRefs2="a920 a918" order="1" mrvSetSeq="3"/><bond id="b1008" atomRefs2="a919 a918" order="1" mrvSetSeq="3"/><bond id="b1009" atomRefs2="a922 a919" order="1" mrvSetSeq="3"/><bond id="b1010" atomRefs2="a921 a920" order="1" mrvSetSeq="3"/><bond id="b1011" atomRefs2="a922 a921" order="1" mrvSetSeq="3"/><bond id="b1012" atomRefs2="a923 a933" order="1" mrvSetSeq="3"/><bond id="b1013" atomRefs2="a927 a923" order="1" mrvSetSeq="3"/><bond id="b1014" atomRefs2="a931 a924" order="1" mrvSetSeq="3"/><bond id="b1015" atomRefs2="a930 a925" order="1" mrvSetSeq="3"/><bond id="b1016" atomRefs2="a929 a926" order="1" mrvSetSeq="3"/><bond id="b1017" atomRefs2="a929 a927" order="1" mrvSetSeq="3"/><bond id="b1018" atomRefs2="a928 a927" order="1" mrvSetSeq="3"/><bond id="b1019" atomRefs2="a931 a928" order="1" mrvSetSeq="3"/><bond id="b1020" atomRefs2="a930 a929" order="1" mrvSetSeq="3"/><bond id="b1021" atomRefs2="a931 a930" order="1" mrvSetSeq="3"/><bond id="b1022" atomRefs2="a936 a932" order="1" mrvSetSeq="3"/><bond id="b1023" atomRefs2="a940 a933" order="1" mrvSetSeq="3"/><bond id="b1024" atomRefs2="a939 a934" order="1" mrvSetSeq="3"/><bond id="b1025" atomRefs2="a938 a935" order="1" mrvSetSeq="3"/><bond id="b1026" atomRefs2="a938 a936" order="1" mrvSetSeq="3"/><bond id="b1027" atomRefs2="a937 a936" order="1" mrvSetSeq="3"/><bond id="b1028" atomRefs2="a940 a937" order="1" mrvSetSeq="3"/><bond id="b1029" atomRefs2="a939 a938" order="1" mrvSetSeq="3"/><bond id="b1030" atomRefs2="a940 a939" order="1" mrvSetSeq="3"/><bond id="b1031" atomRefs2="a941 a950" order="1" mrvSetSeq="3"/><bond id="b1032" atomRefs2="a945 a941" order="1" mrvSetSeq="3"/><bond id="b1033" atomRefs2="a949 a942" order="1" mrvSetSeq="3"/><bond id="b1034" atomRefs2="a948 a943" order="1" mrvSetSeq="3"/><bond id="b1035" atomRefs2="a947 a944" order="1" mrvSetSeq="3"/><bond id="b1036" atomRefs2="a947 a945" order="1" mrvSetSeq="3"/><bond id="b1037" atomRefs2="a946 a945" order="1" mrvSetSeq="3"/><bond id="b1038" atomRefs2="a949 a946" order="1" mrvSetSeq="3"/><bond id="b1039" atomRefs2="a948 a947" order="1" mrvSetSeq="3"/><bond id="b1040" atomRefs2="a949 a948" order="1" mrvSetSeq="3"/><bond id="b1041" atomRefs2="a932 a942" order="1" mrvSetSeq="3"/><bond id="b1042" atomRefs2="a878 a888" order="1" mrvSetSeq="3"/><bond id="b1043" atomRefs2="a951 a960" order="1" mrvSetSeq="3"/><bond id="b1044" atomRefs2="a954 a951" order="1" 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atomRefs2="a967 a966" order="1" mrvSetSeq="3"/><bond id="b1061" atomRefs2="a959 a968" order="1" mrvSetSeq="3"/><bond id="b1062" atomRefs2="a958 a950" order="1" mrvSetSeq="3"/><bond id="b1063" atomRefs2="a969 a970" order="1" mrvSetSeq="3"/><bond id="b1064" atomRefs2="a970 a971" order="1" mrvSetSeq="3"/><bond id="b1065" atomRefs2="a969 a972" order="1" mrvSetSeq="3"/><bond id="b1066" atomRefs2="a972 a973" order="1" mrvSetSeq="3"/><bond id="b1067" atomRefs2="a971 a973" order="1" mrvSetSeq="3"/><bond id="b1068" atomRefs2="a971 a974" order="1" mrvSetSeq="3"/><bond id="b1069" atomRefs2="a970 a975" order="1" mrvSetSeq="3"/><bond id="b1070" atomRefs2="a973 a976" order="1" mrvSetSeq="3"/><bond id="b1071" atomRefs2="a976 a977" order="1" mrvSetSeq="3"/><bond id="b1072" atomRefs2="a978 a979" order="1" mrvSetSeq="3"/><bond id="b1073" atomRefs2="a979 a980" order="1" mrvSetSeq="3"/><bond id="b1074" atomRefs2="a978 a981" order="1" mrvSetSeq="3"/><bond id="b1075" atomRefs2="a981 a982" order="1" 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GHL · 发表于 Post on 2024-4-21 11:01:53

GHL 发表于 2024-4-20 11:47
试了下，分子太大，平台没反应，一直提示重试

是不是分子太大的缘故

GHL · 发表于 Post on 2024-4-21 11:09:41

分子结构是这样的

slxc920113 · 发表于 Post on 2024-4-21 12:05:16

GHL 发表于 2024-4-21 11:09
分子结构是这样的

不要展开，展开了就没有单体的信息了，整体当作一个超大的分子了。

t675210552 · 发表于 Post on 2024-4-22 10:37:30

使用GLYCAM网站工具构建结构后，在Amber程序下可以很好适配开始模拟

GHL · 发表于 Post on 2024-4-22 16:08:17

t675210552 发表于 2024-4-22 10:37
使用GLYCAM网站工具构建结构后，在Amber程序下可以很好适配开始模拟

gycam网站不知道怎么了，很不稳定，注册都不能完成，有没有另外的方法构建。
另外，我熟悉的是Gromacs模拟

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[GROMACS] 关于采用Charmm-gui 构建多糖分子结构出错问题

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