B4IUM2
-OEChem-04012113262D
44 47 0 1 0 0 0 0 0999 V2000
5.7253 3.4508 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.9034 3.0943 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.9834 -0.4508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7443 1.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9010 3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4391 1.3539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1334 3.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3853 0.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3853 1.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4391 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2514 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8555 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1174 0.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2514 1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1174 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2353 2.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0274 1.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0354 2.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9834 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1174 -1.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8494 -1.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1174 -2.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8494 -2.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9834 -3.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 -0.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 1.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9017 -0.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6902 -0.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8528 -0.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6499 -0.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3946 0.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3946 0.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6543 0.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5607 1.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5805 -1.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3864 -1.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4141 2.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5385 2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5859 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5805 -3.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3864 -3.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9834 -4.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
2 19 1 0 0 0 0
13 3 1 6 0 0 0
3 20 1 0 0 0 0
4 16 1 0 0 0 0
4 23 1 0 0 0 0
5 16 2 0 0 0 0
6 9 1 0 0 0 0
6 12 1 0 0 0 0
6 16 1 0 0 0 0
7 17 1 0 0 0 0
7 19 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 27 1 6 0 0 0
9 14 1 0 0 0 0
9 28 1 6 0 0 0
10 12 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 13 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 15 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 17 2 0 0 0 0
15 18 2 0 0 0 0
18 19 1 0 0 0 0
18 36 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 24 1 0 0 0 0
21 37 1 0 0 0 0
22 25 2 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 26 2 0 0 0 0
24 42 1 0 0 0 0
25 26 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$