BE13MI
-OEChem-04022100412D
50 51 0 1 0 0 0 0 0999 V2000
8.0413 3.3807 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3776 2.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5686 4.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 3.4852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5468 4.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -0.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 0.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -1.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -1.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 2.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 1.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0677 2.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8792 2.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5038 4.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9486 4.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2690 2.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 4.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3552 4.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -4.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -4.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19 1 1 6 0 0 0
2 16 2 0 0 0 0
3 21 2 0 0 0 0
4 16 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
5 11 1 0 0 0 0
5 21 1 0 0 0 0
5 38 1 0 0 0 0
14 6 1 1 0 0 0
6 46 1 0 0 0 0
6 47 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 23 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 6 0 0 0
8 24 1 0 0 0 0
9 12 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 13 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 16 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
17 19 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 20 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 20 1 0 0 0 0
19 43 1 0 0 0 0
20 44 1 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
22 48 1 0 0 0 0
22 49 1 0 0 0 0
22 50 1 0 0 0 0
M END
$$$$