BWM30K
-OEChem-04022105362D
28 30 0 0 0 0 0 0 0999 V2000
4.4538 3.9434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -0.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6448 2.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 0.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 -1.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.5955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -0.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9538 1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2628 2.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4538 2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3182 0.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8525 2.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9589 -0.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 6 1 0 0 0 0
2 8 1 0 0 0 0
3 11 1 0 0 0 0
3 20 1 0 0 0 0
4 15 1 0 0 0 0
4 28 1 0 0 0 0
5 15 2 0 0 0 0
6 9 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
7 15 1 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
11 14 2 0 0 0 0
12 16 1 0 0 0 0
12 21 1 0 0 0 0
13 17 2 0 0 0 0
13 22 1 0 0 0 0
14 18 1 0 0 0 0
14 23 1 0 0 0 0
16 19 2 0 0 0 0
16 24 1 0 0 0 0
17 19 1 0 0 0 0
17 25 1 0 0 0 0
18 20 2 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
M END
$$$$