B3Q2WS
-OEChem-04012115472D
29 30 0 0 0 0 0 0 0999 V2000
3.6750 -0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 3.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 3.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -2.5406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 -4.0794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -1.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -3.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 -4.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5970 -0.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1984 -1.6482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8871 -1.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2856 -0.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2077 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0041 1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 -0.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9446 -4.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8100 1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8100 0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 17 1 0 0 0 0
2 29 1 0 0 0 0
3 17 2 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
5 10 2 0 0 0 0
5 14 1 0 0 0 0
6 7 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
9 14 2 0 0 0 0
9 22 1 0 0 0 0
10 23 1 0 0 0 0
11 13 2 0 0 0 0
11 24 1 0 0 0 0
12 16 1 0 0 0 0
12 25 1 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
14 26 1 0 0 0 0
15 16 2 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
M END
$$$$