BS2TM3
-OEChem-04012115212D
54 57 0 1 0 0 0 0 0999 V2000
2.0000 2.3170 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.3170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 4.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 2.9510 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.7569 -0.7647 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1097 -1.0898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -0.3466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2788 0.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -4.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3007 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 -0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3611 0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1801 -1.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3557 0.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1746 -1.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7624 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8397 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7571 -4.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7070 -4.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8399 0.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1090 0.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8157 -1.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7201 0.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4268 -2.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 34 1 0 0 0 0
3 34 1 0 0 0 0
4 34 1 0 0 0 0
5 37 1 0 0 0 0
6 19 2 0 0 0 0
7 23 2 0 0 0 0
8 29 1 0 0 0 0
8 34 1 0 0 0 0
9 15 1 0 0 0 0
9 19 1 0 0 0 0
9 42 1 0 0 0 0
20 10 1 6 0 0 0
10 23 1 0 0 0 0
10 46 1 0 0 0 0
11 18 3 0 0 0 0
12 13 1 0 0 0 0
12 26 2 0 0 0 0
13 14 1 0 0 0 0
13 31 1 0 0 0 0
14 30 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
16 17 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 43 1 0 0 0 0
21 22 1 0 0 0 0
21 44 1 0 0 0 0
21 45 1 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
23 26 1 0 0 0 0
24 27 1 0 0 0 0
24 47 1 0 0 0 0
25 28 2 0 0 0 0
25 48 1 0 0 0 0
26 30 1 0 0 0 0
27 29 2 0 0 0 0
28 29 1 0 0 0 0
28 49 1 0 0 0 0
30 50 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
32 35 1 0 0 0 0
32 51 1 0 0 0 0
33 36 2 0 0 0 0
33 52 1 0 0 0 0
35 37 2 0 0 0 0
35 53 1 0 0 0 0
36 37 1 0 0 0 0
36 54 1 0 0 0 0
M END
$$$$