BVD8U1
-OEChem-04022102272D
55 56 0 1 0 0 0 0 0999 V2000
0.0000 1.5602 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0413 7.7921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 4.3891 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.4073 5.7551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.4073 4.0230 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 1.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 4.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 6.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5772 1.7921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5772 3.7921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6636 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4727 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9945 1.4557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4945 0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4432 3.2921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3092 3.7921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4432 2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 4.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1753 3.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1753 5.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4432 5.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1753 6.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4432 6.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 6.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 7.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1753 8.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4432 8.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1753 9.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4432 9.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 9.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 5.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9736 2.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1621 2.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5375 0.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0927 0.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6568 0.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9281 0.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6861 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4432 3.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 3.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8653 2.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7122 2.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 3.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0403 3.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5772 4.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7122 4.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9063 4.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7122 6.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9063 6.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9063 7.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7122 9.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9063 9.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 10.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1763 5.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13 1 1 6 0 0 0
2 26 1 0 0 0 0
3 31 1 0 0 0 0
4 31 1 0 0 0 0
5 31 1 0 0 0 0
6 17 2 0 0 0 0
7 32 1 0 0 0 0
7 55 1 0 0 0 0
8 32 2 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 17 1 0 0 0 0
15 10 1 1 0 0 0
10 45 1 0 0 0 0
10 46 1 0 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 14 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 14 1 0 0 0 0
13 37 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 40 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 6 0 0 0
16 41 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
20 22 1 0 0 0 0
20 47 1 0 0 0 0
21 23 2 0 0 0 0
21 48 1 0 0 0 0
22 24 2 0 0 0 0
22 49 1 0 0 0 0
23 24 1 0 0 0 0
23 50 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
26 28 2 0 0 0 0
27 29 1 0 0 0 0
27 51 1 0 0 0 0
28 30 1 0 0 0 0
28 52 1 0 0 0 0
29 30 2 0 0 0 0
29 53 1 0 0 0 0
30 54 1 0 0 0 0
31 32 1 0 0 0 0
M END
$$$$