BY3E8U
-OEChem-04012119282D
58 61 0 1 0 0 0 0 0999 V2000
4.4487 0.7576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.8855 -2.0782 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 3.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -0.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 1.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 1.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -0.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5069 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.2576 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -1.0471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 2.2522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 2.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -1.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 4.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9500 -1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2392 -2.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9285 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2177 -2.8225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
12.5283 -3.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 3.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 0.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 0.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.9585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 2.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 3.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -2.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -2.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 4.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 4.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 5.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1788 -3.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7574 -0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7639 -3.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3426 -1.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8244 -2.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9145 -3.8604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5078 -4.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6995 -4.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
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1 16 1 0 0 0 0
2 32 1 0 0 0 0
3 15 1 0 0 0 0
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6 22 2 0 0 0 0
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8 58 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
10 20 1 0 0 0 0
10 23 1 0 0 0 0
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11 12 1 0 0 0 0
11 15 1 1 0 0 0
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12 14 1 0 0 0 0
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13 38 1 0 0 0 0
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14 40 1 0 0 0 0
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16 17 2 0 0 0 0
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18 21 2 0 0 0 0
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19 20 2 0 0 0 0
19 22 1 0 0 0 0
20 21 1 0 0 0 0
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22 24 1 0 0 0 0
23 26 1 0 0 0 0
23 46 1 0 0 0 0
23 47 1 0 0 0 0
25 48 1 0 0 0 0
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25 50 1 0 0 0 0
26 27 2 0 0 0 0
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27 30 1 0 0 0 0
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28 31 2 0 0 0 0
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29 30 2 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
30 53 1 0 0 0 0
31 54 1 0 0 0 0
32 33 1 0 0 0 0
32 55 1 0 0 0 0
33 56 1 0 0 0 0
33 57 1 0 0 0 0
M END
$$$$