HTS1610-06403450
45 47 0 0 0 0 0 0 0 0999 V2000
-1.0869 3.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6233 5.4088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 6.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2053 2.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0504 5.4088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.5869 3.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 7.7905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8153 1.3983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1360 8.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1360 10.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3380 -2.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5438 -1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4349 10.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0664 0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2865 2.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4349 7.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7340 10.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2722 -3.7693 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.5582 0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7340 8.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 10.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0331 10.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7115 -3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 12.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3320 10.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9396 3.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3173 8.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4120 1.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1405 -1.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4348 11.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4348 7.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0365 -0.8091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8023 0.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2536 8.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2507 -3.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0641 -3.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2947 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4278 12.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 12.8905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2460 12.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1267 9.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8516 9.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7177 10.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 2 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 3 1 0 0 0 0
8 4 1 0 0 0 0
9 7 1 0 0 0 0
10 9 1 0 0 0 0
11 12 2 0 0 0 0
12 14 1 0 0 0 0
13 10 2 0 0 0 0
14 8 1 0 0 0 0
15 4 2 0 0 0 0
16 18 2 0 0 0 0
17 9 2 0 0 0 0
18 21 1 0 0 0 0
19 22 2 0 0 0 0
20 11 1 0 0 0 0
21 14 2 0 0 0 0
22 17 1 0 0 0 0
23 10 1 0 0 0 0
24 19 1 0 0 0 0
25 16 1 0 0 0 0
26 23 1 0 0 0 0
27 24 1 0 0 0 0
5 3 1 0 0 0 0
16 11 1 0 0 0 0
13 19 1 0 0 0 0
6 28 1 0 0 0 0
7 29 1 0 0 0 0
8 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
25 37 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
26 40 1 0 0 0 0
26 41 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
M END
>
HTS1610-06403450-01
>
Namiki1610
>
NS-019769902-0000
>
C19H18N3O3FS
>
387.434
>
0
>
2
>
4
>
-8.2590
>
-0.7333
>
0
>
-5.4357
>
2.4192
>
COc2ccc(c(c2)OC)Nc3scc(C(Nc1ccc(c(c1)F)C)=O)n3
>
ZINC09239846
>
16821100
$$$$