B4BH3D
-OEChem-04022108052D
77 80 0 1 0 0 0 0 0999 V2000
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5.4554 -1.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1080 3.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3871 -3.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2845 4.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7631 1.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4852 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2223 -1.2270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0784 -0.6336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1645 -1.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9845 0.4038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2838 -0.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0835 0.8377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2140 0.2643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.1611 -1.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7376 -2.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8610 1.8126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8855 0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4845 2.5945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2160 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1080 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4845 2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9312 2.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4828 -2.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9347 3.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9767 3.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5561 -0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0829 2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6609 -3.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1949 3.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7277 -1.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7434 -4.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7566 -2.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7986 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8284 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9252 -0.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7239 -0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7268 -0.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0171 0.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2122 -2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7790 -1.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1100 -0.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1769 -2.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4729 -3.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2982 -2.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6897 1.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3702 0.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1768 0.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5972 0.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2551 -0.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5643 1.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0431 2.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3466 3.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4132 1.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7211 3.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6037 2.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8421 2.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6098 -2.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5814 4.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7101 4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8083 3.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1255 -4.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7944 -4.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3612 -4.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0214 -2.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1960 -2.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4920 -3.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3676 1.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1801 -2.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8425 -3.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4170 -2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7844 -0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 -1.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -1.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3473 -2.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9 1 1 1 0 0 0
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37 76 1 0 0 0 0
37 77 1 0 0 0 0
M END
$$$$