HTS1610-04074784
51 54 0 0 0 0 0 0 0 0999 V2000
-6.2035 2.4913 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.0353 -1.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6669 1.0648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5353 -1.4478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1537 -0.2341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1537 -2.6612 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.2853 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7853 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7398 3.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2729 -2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2729 -0.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1702 -2.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6216 5.1315 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.5720 -2.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6300 2.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7769 2.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6135 2.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5720 0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3903 3.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3133 4.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5353 1.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -0.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7398 6.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4691 -2.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6171 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3133 5.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0935 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6669 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1702 -4.4478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0935 -0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -5.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5129 -0.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5720 -3.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5720 0.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9772 3.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8279 4.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3907 -0.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9252 6.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1469 0.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9865 1.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8279 6.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6920 0.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2386 1.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1581 -1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8917 -1.9186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2386 -1.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6920 -0.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0763 -5.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3514 -5.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4854 -4.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 9 1 0 0 0 0
1 16 2 0 0 0 0
1 17 2 0 0 0 0
2 4 2 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
3 8 1 0 0 0 0
3 28 1 0 0 0 0
4 7 1 0 0 0 0
5 11 1 0 0 0 0
5 26 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 22 2 0 0 0 0
8 29 1 0 0 0 0
9 13 1 0 0 0 0
9 21 2 0 0 0 0
10 11 1 0 0 0 0
10 14 2 0 0 0 0
11 19 2 0 0 0 0
12 15 1 0 0 0 0
12 25 2 0 0 0 0
12 30 1 0 0 0 0
13 24 1 0 0 0 0
14 15 1 0 0 0 0
15 23 2 0 0 0 0
18 20 3 0 0 0 0
18 26 1 0 0 0 0
19 23 1 0 0 0 0
21 27 1 0 0 0 0
24 27 2 0 0 0 0
28 31 1 0 0 0 0
29 31 1 0 0 0 0
30 32 1 0 0 0 0
8 33 1 0 0 0 0
14 34 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
26 40 1 0 0 0 0
26 41 1 0 0 0 0
27 42 1 0 0 0 0
28 43 1 0 0 0 0
28 44 1 0 0 0 0
29 45 1 0 0 0 0
29 46 1 0 0 0 0
31 47 1 0 0 0 0
31 48 1 0 0 0 0
32 49 1 0 0 0 0
32 50 1 0 0 0 0
32 51 1 0 0 0 0
M END
>
HTS1610-04074784-01
>
Namiki1610
>
NS-015139604-0000
>
C21H19N3O5S3
>
489.594
>
0
>
0
>
6
>
-8.8715
>
-1.2290
>
1
>
-7.2528
>
2.7780
>
C#CCN2C(Sc4cc(C(OC)=O)ccc42)=NC(C3CCCN3S(c1sccc1)(=O)=O)=O
>
HTS1610-04074783
>
ZINC10187073 ZINC10187072
>
41397972 41397971 18581528
$$$$