BB3Y7L
-OEChem-04022102422D
41 43 0 1 0 0 0 0 0999 V2000
4.4467 -3.5352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7657 3.7262 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4467 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4467 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 2.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6377 1.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3644 2.7081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 2.0036 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.2558 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5345 2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5290 2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1278 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3128 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5807 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3128 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5807 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1168 3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7156 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7101 4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6653 2.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5658 0.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8222 1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7812 2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5112 3.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8497 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0438 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8497 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0438 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7334 3.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4634 5.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0745 4.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1122 2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8267 -4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 -5.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0667 -4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 18 1 0 0 0 0
1 24 1 0 0 0 0
2 15 2 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 15 1 0 0 0 0
6 10 2 0 0 0 0
7 15 1 0 0 0 0
7 37 1 0 0 0 0
7 38 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 12 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 21 1 0 0 0 0
13 28 1 0 0 0 0
14 22 2 0 0 0 0
14 29 1 0 0 0 0
16 19 1 0 0 0 0
16 30 1 0 0 0 0
17 20 2 0 0 0 0
17 31 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
21 23 2 0 0 0 0
21 34 1 0 0 0 0
22 23 1 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
M END
$$$$