HTS1610-02962504
57 60 0 0 0 0 0 0 0 0999 V2000
-1.7443 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0432 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3423 1.4578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 1.4578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7443 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4452 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3423 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0432 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4519 1.4578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6414 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 3.7078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0501 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4203 2.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0432 3.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2068 -0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4241 0.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6741 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0432 -2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7510 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6414 -2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3423 -3.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9403 -3.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4452 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9403 -4.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 -2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4452 -2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 -3.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8619 1.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2247 -0.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8309 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0595 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4519 0.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1610 -0.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7609 -0.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0208 1.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3735 0.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9182 -0.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5236 -2.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3653 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1367 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3423 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3580 -0.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7437 -0.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0361 -0.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6504 -0.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3494 -4.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9403 -5.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5312 -4.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7437 -2.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3580 -2.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6504 -2.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0361 -2.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2396 -3.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4683 -3.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 2 0 0 0 0
1 7 1 0 0 0 0
2 3 1 0 0 0 0
2 15 2 0 0 0 0
3 8 1 0 0 0 0
4 5 1 0 0 0 0
4 10 1 0 0 0 0
4 12 2 0 0 0 0
5 7 1 0 0 0 0
5 18 1 0 0 0 0
6 9 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 20 1 0 0 0 0
10 21 1 0 0 0 0
11 22 2 0 0 0 0
13 14 1 0 0 0 0
13 16 2 0 0 0 0
13 21 1 0 0 0 0
14 17 1 0 0 0 0
16 19 1 0 0 0 0
17 19 2 0 0 0 0
18 25 1 0 0 0 0
18 26 1 0 0 0 0
20 23 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 27 1 0 0 0 0
25 28 1 0 0 0 0
26 29 1 0 0 0 0
28 30 1 0 0 0 0
29 30 1 0 0 0 0
3 31 1 0 0 0 0
6 32 1 0 0 0 0
7 33 1 0 0 0 0
7 34 1 0 0 0 0
10 35 1 0 0 0 0
11 36 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
19 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
23 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
27 49 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
28 52 1 0 0 0 0
28 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
30 56 1 0 0 0 0
30 57 1 0 0 0 0
M END
>
HTS1610-02962504-01
>
Namiki1610
>
NS-013332113-0000
>
C23H27N3O3S
>
425.552
>
0
>
2
>
3
>
-8.0839
>
-0.8456
>
0
>
-8.3433
>
3.3451
>
COc3ccc4C=C(C(Nc4c3)=O)CN(C1CCCCC1)C(NCc2occc2)=S
>
ZINC00883156
$$$$