BOH6V2
-OEChem-04022106483D
30 31 0 0 0 0 0 0 0999 V2000
-5.5122 0.7935 0.0051 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0884 -2.6430 -0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4416 1.3568 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2127 1.4996 0.0289 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1673 -0.5737 0.0046 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8865 1.4484 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7534 -0.6890 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 -1.4139 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6491 0.7882 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1650 0.8440 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3804 -1.4068 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6943 -0.8425 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4846 -1.2052 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8511 2.9082 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3417 -0.5216 1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3737 -0.5942 -1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6237 0.0283 1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6556 -0.0442 -1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2805 0.2670 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3586 -2.4937 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0495 -0.8619 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4273 -2.2961 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0176 -0.8867 0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8658 3.2930 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5887 3.2716 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 3.2863 0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8467 -0.7007 2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9035 -0.8303 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1108 0.2706 2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1675 0.1415 -2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 8 2 0 0 0 0
3 9 2 0 0 0 0
4 10 2 0 0 0 0
5 8 1 0 0 0 0
5 10 1 0 0 0 0
5 13 1 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 14 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 11 2 0 0 0 0
11 12 1 0 0 0 0
11 20 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 21 1 0 0 0 0
13 22 1 0 0 0 0
13 23 1 0 0 0 0
14 24 1 0 0 0 0
14 25 1 0 0 0 0
14 26 1 0 0 0 0
15 17 1 0 0 0 0
15 27 1 0 0 0 0
16 18 2 0 0 0 0
16 28 1 0 0 0 0
17 19 2 0 0 0 0
17 29 1 0 0 0 0
18 19 1 0 0 0 0
18 30 1 0 0 0 0
M END
$$$$