HTS1610-01789493
43 45 0 0 0 0 0 0 0 0999 V2000
0.9285 2.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3921 3.9008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0350 3.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1785 4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5715 2.4743 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8101 1.2607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 4.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1175 2.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5762 3.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1785 6.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0029 3.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8057 1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2917 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3791 0.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2644 1.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1733 0.9472 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-7.5442 3.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9204 0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0818 -1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9019 -1.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6086 -1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6589 2.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7233 -2.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4718 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0201 -2.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9628 4.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5862 4.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1278 4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2544 0.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6938 1.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6785 -1.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4986 -1.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0522 -0.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2907 -1.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3409 1.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1048 1.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1317 2.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4054 -2.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1692 -2.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1961 -1.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8245 -3.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2640 -3.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 5 1 0 0 0 0
4 2 1 0 0 0 0
5 1 1 0 0 0 0
6 1 2 0 0 0 0
7 3 2 0 0 0 0
8 6 1 0 0 0 0
9 12 2 0 0 0 0
10 7 1 0 0 0 0
11 4 2 0 0 0 0
12 10 1 0 0 0 0
13 15 2 0 0 0 0
14 8 2 0 0 0 0
15 16 1 0 0 0 0
16 10 2 0 0 0 0
17 14 1 0 0 0 0
18 9 1 0 0 0 0
19 13 1 0 0 0 0
20 8 1 0 0 0 0
21 14 1 0 0 0 0
22 19 1 0 0 0 0
23 18 1 0 0 0 0
24 22 1 0 0 0 0
25 20 2 0 0 0 0
26 25 1 0 0 0 0
3 4 1 0 0 0 0
21 26 2 0 0 0 0
13 9 1 0 0 0 0
2 27 1 0 0 0 0
7 28 1 0 0 0 0
12 29 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
26 43 1 0 0 0 0
M END
>
HTS1610-01789493-01
>
Namiki1610
>
NS-012306997-0000
>
C19H17N2O3FS
>
372.419
>
0
>
1
>
4
>
-8.4302
>
-1.4438
>
0
>
-6.0927
>
3.2192
>
CCOc3ccc(C=C2SC(=Nc1ccccc1F)NC2=O)cc3OC
>
HTS1610-01789492
>
ZINC05376543
$$$$