B8IA7H
-OEChem-04012115242D
49 53 0 1 0 0 0 0 0999 V2000
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9.3170 -1.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3170 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9425 2.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8739 1.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9808 2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8387 -1.9744 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.7448 -1.4606 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.7563 -0.4606 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.6387 -1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8387 -3.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6387 -2.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7448 -3.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9584 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5047 -1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9746 -1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2800 1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5047 -3.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3708 -1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2740 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3708 -2.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9776 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6208 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3184 0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6400 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9006 -2.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2833 3.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2108 -1.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3053 -0.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2278 -2.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6296 -3.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3511 -4.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1494 -3.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5047 -0.8752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2867 -0.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4389 -1.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6625 -2.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5047 -4.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7782 -0.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7103 0.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3615 -2.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3615 -2.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7495 3.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8746 3.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8171 3.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8792 2.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1208 1.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 20 1 0 0 0 0
2 19 1 0 0 0 0
2 26 1 0 0 0 0
3 21 1 0 0 0 0
3 26 1 0 0 0 0
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6 28 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 16 1 0 0 0 0
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9 14 1 0 0 0 0
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10 12 1 0 0 0 0
10 15 2 0 0 0 0
11 13 1 0 0 0 0
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11 32 1 0 0 0 0
12 13 1 0 0 0 0
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22 24 2 0 0 0 0
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27 44 1 0 0 0 0
27 45 1 0 0 0 0
27 46 1 0 0 0 0
28 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
M END
$$$$