BW16EQ
-OEChem-04012113282D
55 58 0 0 0 0 0 0 0999 V2000
9.0622 -3.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.0622 -3.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6610 3.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1448 4.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6698 5.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4545 5.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9796 4.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 0.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 1.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 0.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 0.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 1.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 31 1 0 0 0 0
2 31 1 0 0 0 0
3 31 1 0 0 0 0
4 21 1 0 0 0 0
4 22 1 0 0 0 0
5 20 2 0 0 0 0
6 28 1 0 0 0 0
6 31 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
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8 23 1 0 0 0 0
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9 51 1 0 0 0 0
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10 13 1 0 0 0 0
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12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 15 1 0 0 0 0
13 16 2 0 0 0 0
14 17 1 0 0 0 0
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14 19 1 0 0 0 0
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15 20 1 0 0 0 0
15 23 2 0 0 0 0
16 24 1 0 0 0 0
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17 21 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 22 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
22 47 1 0 0 0 0
22 48 1 0 0 0 0
23 50 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
26 28 1 0 0 0 0
26 52 1 0 0 0 0
27 29 2 0 0 0 0
27 53 1 0 0 0 0
28 30 2 0 0 0 0
29 30 1 0 0 0 0
29 54 1 0 0 0 0
30 55 1 0 0 0 0
M END
$$$$