BEM15W
-OEChem-04022102582D
46 48 0 0 0 0 0 0 0999 V2000
10.9922 -1.2820 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.7030 -0.1252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 -2.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6350 -2.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3638 3.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0746 1.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -1.2014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3458 -1.8200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 -2.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 -2.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3673 -1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0102 -3.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9887 -3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6565 -2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0137 -1.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5986 -1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8410 -1.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2679 1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1035 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -1.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6139 -0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 0.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 -3.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7574 -4.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5150 -3.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4070 -0.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9497 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 26 1 0 0 0 0
3 15 2 0 0 0 0
4 24 1 0 0 0 0
4 28 1 0 0 0 0
5 23 2 0 0 0 0
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7 27 2 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 15 1 0 0 0 0
9 16 1 0 0 0 0
9 23 1 0 0 0 0
9 26 1 0 0 0 0
10 12 2 0 0 0 0
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10 17 1 0 0 0 0
11 13 2 0 0 0 0
11 19 1 0 0 0 0
12 20 1 0 0 0 0
13 18 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 21 2 0 0 0 0
16 29 1 0 0 0 0
16 30 1 0 0 0 0
17 27 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
18 24 2 0 0 0 0
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19 25 2 0 0 0 0
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22 40 1 0 0 0 0
24 25 1 0 0 0 0
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26 42 1 0 0 0 0
28 43 1 0 0 0 0
28 44 1 0 0 0 0
28 45 1 0 0 0 0
M END
$$$$