BZ57QP
-OEChem-04022107092D
53 55 0 1 0 0 0 0 0999 V2000
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4.3407 5.4180 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 4.6477 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5705 4.2319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.8820 -5.4180 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 2.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 0.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 0.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.1508 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -2.1540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 1.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -3.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 3.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -4.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 4.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -4.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 0.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 1.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 1.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -0.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 0.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 1.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 2.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -2.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -3.1918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -3.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0851 2.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 3.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8960 -3.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3027 -2.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9790 -4.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5723 -4.8809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1852 -4.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5919 -3.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 8 2 0 0 0 0
1 11 1 0 0 0 0
1 18 1 0 0 0 0
2 30 1 0 0 0 0
3 30 1 0 0 0 0
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5 31 1 0 0 0 0
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6 26 1 0 0 0 0
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18 19 2 0 0 0 0
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28 29 1 0 0 0 0
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29 31 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
31 52 1 0 0 0 0
31 53 1 0 0 0 0
M END
$$$$