BBP87H
-OEChem-04012120072D
53 54 0 1 0 0 0 0 0999 V2000
4.0981 4.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 3.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6859 5.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.3261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 3.9139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 4.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 3.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -0.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -0.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 1.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7171 3.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9735 4.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6921 3.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 2.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7522 -0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3722 0.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8162 1.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5762 1.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3772 4.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 18 1 0 0 0 0
2 14 1 0 0 0 0
2 44 1 0 0 0 0
3 15 2 0 0 0 0
4 18 2 0 0 0 0
5 19 2 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
9 7 1 6 0 0 0
7 15 1 0 0 0 0
7 36 1 0 0 0 0
10 8 1 6 0 0 0
8 19 1 0 0 0 0
8 37 1 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 15 1 0 0 0 0
10 29 1 0 0 0 0
11 12 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 16 1 0 0 0 0
12 17 1 0 0 0 0
12 32 1 0 0 0 0
13 18 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
17 43 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 45 1 0 0 0 0
20 46 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 49 1 0 0 0 0
24 26 2 0 0 0 0
24 50 1 0 0 0 0
25 27 2 0 0 0 0
25 51 1 0 0 0 0
26 27 1 0 0 0 0
26 52 1 0 0 0 0
27 53 1 0 0 0 0
M END
$$$$