BIH7V3
-OEChem-04012113492D
33 34 0 1 0 0 0 0 0999 V2000
6.3745 -2.8385 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5134 -0.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6166 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7867 -2.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4364 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1835 -2.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5655 -3.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 4.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 1.2139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 2.7139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9623 -3.6475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 -1.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2044 -1.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8954 -0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 0.2139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7922 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 2.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 3.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4859 -1.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8168 -1.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5854 0.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3290 -0.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2568 0.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2349 -2.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9631 -2.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 1.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1074 3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5789 -3.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7101 -4.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 11 1 0 0 0 0
2 13 1 0 0 0 0
2 15 1 0 0 0 0
12 3 1 1 0 0 0
3 28 1 0 0 0 0
4 16 1 0 0 0 0
5 17 2 0 0 0 0
8 20 2 0 0 0 0
15 9 1 6 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
10 17 1 0 0 0 0
10 20 1 0 0 0 0
10 30 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 21 1 0 0 0 0
13 16 1 6 0 0 0
13 22 1 0 0 0 0
14 15 1 0 0 0 0
14 23 1 0 0 0 0
14 24 1 0 0 0 0
15 25 1 0 0 0 0
16 26 1 0 0 0 0
16 27 1 0 0 0 0
18 19 2 0 0 0 0
18 29 1 0 0 0 0
19 20 1 0 0 0 0
19 31 1 0 0 0 0
M END
$$$$