HTS1710-01184010
47 49 0 0 0 0 0 0 0 0999 V2000
-3.1979 -1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8990 -2.3216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4970 -2.3216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1979 -0.0716 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2972 0.6784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5999 -1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2972 2.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9981 -0.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2972 5.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4970 -3.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6992 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5999 -0.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9981 -1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5963 2.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9981 2.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6992 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9981 4.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5963 4.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2972 6.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5963 7.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7106 -4.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2836 -4.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7470 -6.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2470 -6.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8991 -2.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0166 -2.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8168 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0316 -3.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6992 -2.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 -1.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 2.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4785 2.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6992 1.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4785 4.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 4.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3910 7.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 7.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9819 6.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2669 -4.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0286 -4.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9656 -4.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7272 -4.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1648 -6.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7888 -6.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2051 -6.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8292 -6.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 1 1 0 0 0 0
4 1 2 0 0 0 0
5 8 1 0 0 0 0
6 2 1 0 0 0 0
7 5 1 0 0 0 0
8 16 2 0 0 0 0
9 17 1 0 0 0 0
10 3 1 0 0 0 0
11 6 1 0 0 0 0
12 6 2 0 0 0 0
13 11 2 0 0 0 0
14 7 2 0 0 0 0
15 7 1 0 0 0 0
16 12 1 0 0 0 0
17 15 2 0 0 0 0
18 14 1 0 0 0 0
19 9 1 0 0 0 0
20 19 1 0 0 0 0
21 10 1 0 0 0 0
22 10 1 0 0 0 0
23 22 1 0 0 0 0
24 21 1 0 0 0 0
24 23 1 0 0 0 0
13 8 1 0 0 0 0
18 9 2 0 0 0 0
2 25 1 0 0 0 0
3 26 1 0 0 0 0
5 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
14 32 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
17 35 1 0 0 0 0
18 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
24 46 1 0 0 0 0
24 47 1 0 0 0 0
M END
>
HTS1710-01184010-01
>
Namiki1710
>
NS-012341346-0000
>
C19H23N3OS
>
341.478
>
0
>
3
>
1
>
0
>
45.3200
>
-8.2469
>
-0.3221
>
4.848
>
-6.756
>
COc2ccc(Nc3ccc(NC(NC1CCCC1)=S)cc3)cc2
>
2959203
$$$$