KSH2016-01924508
84 89 0 0 0 0 0 0 0 0999 V2000
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0.5272 -0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2333 -1.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7427 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9770 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.9961 0.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6462 -0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6073 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8200 2.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7427 2.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4395 -5.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0434 1.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3843 3.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7314 8.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5969 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3017 2.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6409 -7.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.8224 1.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.3574 7.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2044 8.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9224 8.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9838 0.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1158 0.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.7108 2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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48 84 1 0 0 0 0
M END
>
KSH2016-01924508-01
>
Kishida2016
>
KS122-2122005
>
VitasMLab
>
STK798967
>
C38H36N4O5S
>
660.794
>
0
>
0
>
7
>
-8.2794
>
-1.4965
>
1
>
-10.8316
>
5.4710
>
C=CCOc3ccc(c5nn(c1ccccc1)cc5C=C4SC6=NC(=C(C(N6C4=O)c2ccc(cc2)OC)C(OC(C)C)=O)C)cc3C
>
HTS1610-01039488 HTS1610-01039489 HTS1610-01032368 HTS1610-01032367
$$$$