HTS1610-01853427
48 50 0 0 0 0 0 0 0 0999 V2000
4.2387 -5.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8120 -5.3882 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6656 -5.8517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4521 -4.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2021 -7.2784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7021 -7.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0923 -5.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -4.9248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2069 -6.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2756 -3.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3485 -6.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4041 -3.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8950 -7.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4521 -3.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8205 -8.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0098 -8.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6979 -10.3300 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0
1.1842 -3.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3489 -6.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6336 -5.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7483 -6.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4363 -8.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 -2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1451 -5.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5078 -3.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9715 -4.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3244 -8.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8613 -3.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4521 -2.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0430 -3.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2373 -8.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4678 -8.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2812 -8.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3553 -2.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7802 -3.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8715 -6.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1493 -6.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7584 -5.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3189 -6.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8821 -8.8008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4467 -2.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3216 -2.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 -6.4668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7119 -6.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1066 -3.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5735 -2.5997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3752 -5.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 -4.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
4 1 2 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
7 3 1 0 0 0 0
8 2 1 0 0 0 0
9 7 1 0 0 0 0
10 2 2 0 0 0 0
11 2 2 0 0 0 0
12 7 2 0 0 0 0
13 9 2 0 0 0 0
14 4 1 0 0 0 0
15 6 1 0 0 0 0
16 13 1 0 0 0 0
17 16 1 0 0 0 0
18 8 1 0 0 0 0
19 8 1 0 0 0 0
20 9 1 0 0 0 0
21 20 2 0 0 0 0
22 21 1 0 0 0 0
23 18 1 0 0 0 0
24 19 1 0 0 0 0
25 23 1 0 0 0 0
26 24 1 0 0 0 0
5 3 1 0 0 0 0
26 25 1 0 0 0 0
16 22 2 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
M END
>
HTS1610-01853427-01
>
Namiki1610
>
NS-012356653-0000
>
C18H22N3O3SCl
>
395.910
>
0
>
0
>
4
>
-9.7908
>
-1.1207
>
0
>
-5.3544
>
3.1932
>
[Cl]c2cccc(C(n3nc(c(S(N1CCCCCC1)(=O)=O)c3C)C)=O)c2
>
KSH2016-03698520
>
31510150
$$$$