HTS1610-03720136
60 63 0 0 0 0 0 0 0 0999 V2000
2.5346 2.2584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9050 1.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5310 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7482 0.1566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2810 -0.1554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7078 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2041 2.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2160 -0.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2041 3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0391 1.3004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.3343 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5030 4.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5894 -2.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3178 0.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9443 1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8425 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2228 3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5030 6.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9050 4.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9050 6.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6912 -0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8021 3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8096 0.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0812 -1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9794 -3.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4361 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2041 6.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8021 6.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8611 -4.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0463 3.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1012 4.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1012 6.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7949 2.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4093 1.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9719 -1.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3032 -0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0078 -0.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6231 3.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0981 4.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7791 3.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3853 4.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3853 6.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2880 -0.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8021 3.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0537 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4339 -2.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4820 -3.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5627 -3.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9387 2.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0194 1.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2041 7.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8021 7.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4443 -5.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2137 -5.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4003 -4.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6285 2.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2904 3.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5489 3.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6208 4.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6208 6.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 17 1 0 0 0 0
2 4 2 0 0 0 0
2 7 1 0 0 0 0
3 5 2 0 0 0 0
3 10 1 0 0 0 0
4 5 1 0 0 0 0
6 8 1 0 0 0 0
6 13 2 0 0 0 0
6 14 1 0 0 0 0
7 9 1 0 0 0 0
8 11 1 0 0 0 0
9 12 2 0 0 0 0
9 19 1 0 0 0 0
10 16 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 18 1 0 0 0 0
12 22 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
14 23 2 0 0 0 0
14 26 1 0 0 0 0
18 27 2 0 0 0 0
18 28 1 0 0 0 0
19 20 2 0 0 0 0
20 27 1 0 0 0 0
21 23 1 0 0 0 0
21 24 2 0 0 0 0
22 31 2 0 0 0 0
25 29 1 0 0 0 0
26 30 1 0 0 0 0
28 32 2 0 0 0 0
31 32 1 0 0 0 0
7 33 1 0 0 0 0
7 34 1 0 0 0 0
8 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
23 45 1 0 0 0 0
24 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
26 50 1 0 0 0 0
27 51 1 0 0 0 0
28 52 1 0 0 0 0
29 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
30 56 1 0 0 0 0
30 57 1 0 0 0 0
30 58 1 0 0 0 0
31 59 1 0 0 0 0
32 60 1 0 0 0 0
M END
>
HTS1610-03720136-01
>
Namiki1610
>
NS-014421128-0000
>
C26H28N4OS
>
444.602
>
0
>
1
>
3
>
-8.5789
>
-0.6782
>
0
>
-8.8223
>
6.3345
>
CCc1cccc(c1NC(CSc2nnc(n2C)Cc4cccc3ccccc43)=O)CC
>
KSH2016-00283766
>
ZINC01143209
>
1315462
$$$$