B1L9XT
-OEChem-04012116272D
31 33 0 0 0 0 0 0 0999 V2000
2.3660 1.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 0.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2005 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9305 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1527 2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8827 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4938 3.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4237 -1.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 6 1 0 0 0 0
2 14 1 0 0 0 0
2 31 1 0 0 0 0
3 14 2 0 0 0 0
4 7 2 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
6 8 1 0 0 0 0
7 9 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 15 1 0 0 0 0
10 21 1 0 0 0 0
11 16 2 0 0 0 0
11 22 1 0 0 0 0
12 17 1 0 0 0 0
12 23 1 0 0 0 0
13 18 2 0 0 0 0
13 24 1 0 0 0 0
15 19 2 0 0 0 0
15 25 1 0 0 0 0
16 19 1 0 0 0 0
16 26 1 0 0 0 0
17 20 2 0 0 0 0
17 27 1 0 0 0 0
18 20 1 0 0 0 0
18 28 1 0 0 0 0
19 29 1 0 0 0 0
20 30 1 0 0 0 0
M END
$$$$