B2JE7O
-OEChem-04012118082D
46 48 0 1 0 0 0 0 0999 V2000
7.1753 3.6307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7026 4.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.7352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6808 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.8988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 1.3988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2016 2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 2.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6378 5.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0826 4.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4029 3.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2472 4.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4892 5.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 2.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8 1 1 6 0 0 0
2 12 2 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 12 1 0 0 0 0
10 4 1 1 0 0 0
4 37 1 0 0 0 0
4 38 1 0 0 0 0
5 23 2 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 9 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 9 1 0 0 0 0
8 29 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 32 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 6 0 0 0
11 33 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 17 1 0 0 0 0
15 39 1 0 0 0 0
16 18 2 0 0 0 0
16 40 1 0 0 0 0
17 19 2 0 0 0 0
17 41 1 0 0 0 0
18 19 1 0 0 0 0
18 42 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 43 1 0 0 0 0
22 24 2 0 0 0 0
22 44 1 0 0 0 0
23 45 1 0 0 0 0
24 46 1 0 0 0 0
M END
$$$$