KSH2017-03558792
81 85 0 0 0 0 0 0 0 0999 V2000
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6.2238 3.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5119 0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8228 -6.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.8206 -7.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4773 -10.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1521 -8.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.4895 -3.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.4783 -9.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9367 -14.4925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8004 -12.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4426 -14.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.1906 -12.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2175 -13.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4698 -12.1930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7839 -15.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1662 -17.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4437 -13.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0896 -17.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2134 0.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4420 0.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8982 3.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2828 3.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4356 4.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2070 4.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7506 1.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1777 2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0177 4.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.6159 -5.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2302 -5.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3009 -4.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 -3.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9651 -8.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8077 -11.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9577 -10.1623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3105 -11.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9487 -12.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2251 -15.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4715 -14.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5973 -17.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4877 -12.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0406 -13.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6070 -13.9393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6795 -16.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3001 -17.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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42 80 1 0 0 0 0
6 81 1 0 0 0 0
M END
>
KSH2017-03558792-01
>
Kishida2017
>
KL-010-0157-186
>
C30H38N8O4
>
8
>
3
>
574.67392
>
C30H39N8O4
>
575.694
>
1
>
4
>
6
>
0
>
137.1300
>
-10.5408
>
-3.3384
>
3.171
>
-6.556
>
OCCn4nc(cc4NC(c3cccc(C(N1CCC(NC(c5ncccc5N2CCN(CC2)C)=O)CC1)=O)c3)=O)C
$$$$