BOAM64
-OEChem-04012113022D
37 39 0 0 0 0 0 0 0999 V2000
5.5116 0.8717 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7026 2.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0820 3.4990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 2.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0875 3.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4997 4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9064 5.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9010 5.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4888 4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7974 1.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8831 4.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5420 5.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1531 5.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1054 4.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -4.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -5.7585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
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2 23 1 0 0 0 0
3 17 2 0 0 0 0
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9 18 2 0 0 0 0
10 15 1 0 0 0 0
10 24 1 0 0 0 0
11 16 2 0 0 0 0
11 25 1 0 0 0 0
12 19 2 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
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16 28 1 0 0 0 0
18 30 1 0 0 0 0
19 20 1 0 0 0 0
19 31 1 0 0 0 0
20 21 2 0 0 0 0
20 32 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
M END
$$$$