HTS1610-03776032
44 47 0 0 0 0 0 0 0 0999 V2000
-0.6765 -1.7841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7944 -2.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1399 -3.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7908 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1363 -4.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3310 -4.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7251 -0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2617 -2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7251 1.5784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8435 0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6801 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1519 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1519 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6072 -3.5227 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.2542 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3346 -5.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1474 -0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2617 3.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6109 -2.4079 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4508 1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4508 -1.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1510 0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 4.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7499 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7499 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2203 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6876 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3218 -4.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6632 -2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 0.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7319 2.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8923 3.4780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 -1.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6298 0.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7379 0.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8959 4.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6668 4.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7742 3.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2695 -0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2695 1.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 2.4425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0891 2.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 11 1 0 0 0 0
2 4 1 0 0 0 0
2 6 1 0 0 0 0
2 8 2 0 0 0 0
3 5 1 0 0 0 0
3 14 2 0 0 0 0
4 15 2 0 0 0 0
5 6 1 0 0 0 0
6 16 2 0 0 0 0
7 8 1 0 0 0 0
7 10 2 0 0 0 0
7 12 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 18 1 0 0 0 0
11 17 2 0 0 0 0
11 22 1 0 0 0 0
12 13 2 0 0 0 0
12 21 1 0 0 0 0
13 20 1 0 0 0 0
17 19 1 0 0 0 0
17 23 1 0 0 0 0
18 24 1 0 0 0 0
20 26 2 0 0 0 0
21 25 2 0 0 0 0
22 27 2 0 0 0 0
23 28 2 0 0 0 0
25 26 1 0 0 0 0
27 28 1 0 0 0 0
5 29 1 0 0 0 0
8 30 1 0 0 0 0
10 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
28 44 1 0 0 0 0
M END
>
HTS1610-03776032-01
>
Namiki1610
>
NS-014481337-0000
>
C21H16N3O2FS
>
393.441
>
0
>
1
>
2
>
-8.4806
>
-1.5859
>
0
>
-8.6957
>
4.0093
>
CCn2cc(c4ccccc42)C=C3C(NC(N(c1ccccc1F)C3=O)=S)=O
>
KSH2016-01810664 KSH2016-00598268
>
ZINC02278963
>
4221662 1903358 1903357
$$$$