BARP76
-OEChem-04022101392D
42 45 0 0 0 0 0 0 0999 V2000
7.2098 -0.6454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 1.3579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.6626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.4666 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9529 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5406 0.0978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.0531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8789 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5406 3.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5699 -2.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8571 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2172 -2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2390 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5262 -1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8863 -3.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9342 -0.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3023 2.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1303 3.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3491 4.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9510 3.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9634 -2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0486 -0.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0474 -3.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1326 -1.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4256 -4.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3012 -4.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3471 -3.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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10 13 2 0 0 0 0
10 16 1 0 0 0 0
12 17 2 0 0 0 0
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13 28 1 0 0 0 0
14 15 1 0 0 0 0
14 22 2 0 0 0 0
15 23 2 0 0 0 0
16 29 1 0 0 0 0
16 30 1 0 0 0 0
16 31 1 0 0 0 0
17 20 1 0 0 0 0
17 32 1 0 0 0 0
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21 35 1 0 0 0 0
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26 40 1 0 0 0 0
26 41 1 0 0 0 0
26 42 1 0 0 0 0
M END
$$$$