HTS1710-01044254
47 50 0 0 0 0 0 0 0 0999 V2000
5.1971 -0.6309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9837 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1971 -2.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9837 1.7509 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.5053 -1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8137 -0.6309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5570 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6237 -0.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6237 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3871 -0.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5570 2.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6753 1.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9837 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0271 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8137 -2.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3871 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4542 2.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3975 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8704 1.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0838 2.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6109 0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0935 3.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3715 -0.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3989 0.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1325 0.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1325 -2.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3989 -3.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8783 0.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6120 0.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0753 1.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0899 -0.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4122 -2.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9588 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6119 -3.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8783 -2.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8291 -0.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0620 -0.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2936 1.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6073 2.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6522 3.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4193 3.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1877 0.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8739 -0.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4994 3.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9081 4.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6233 3.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3483 -0.9033 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 2 1 0 0 0 0
5 8 1 0 0 0 0
6 10 1 0 0 0 0
7 2 2 0 0 0 0
8 1 1 0 0 0 0
9 3 1 0 0 0 0
10 5 1 0 0 0 0
11 4 1 0 0 0 0
12 7 1 0 0 0 0
13 3 2 0 0 0 0
14 6 1 0 0 0 0
15 16 1 0 0 0 0
16 5 1 0 0 0 0
17 20 1 0 0 0 0
18 14 1 0 0 0 0
19 14 1 0 0 0 0
20 19 1 0 0 0 0
21 18 1 0 0 0 0
22 11 1 0 0 0 0
5 9 1 0 0 0 0
11 12 2 0 0 0 0
6 15 1 0 0 0 0
17 21 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
12 30 1 0 0 0 0
14 31 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
6 47 1 0 0 0 0
M END
>
HTS1710-01044254-01
>
Namiki1710
>
NS-012161391-0001
>
C17H25N2O2S
>
321.464
>
1
>
1
>
2
>
2
>
33.9800
>
-10.7632
>
-3.9938
>
4.660
>
-5.220
>
Cc2ccc(N4CC3(CC4=O)CCN(C1CCOCC1)C3)s2
>
131640232 97502060 97502059
$$$$