B7RE9J
-OEChem-04012116402D
46 50 0 1 0 0 0 0 0999 V2000
4.8449 2.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8411 -0.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2596 -3.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 -0.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 -2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4575 0.6548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1256 -1.9201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2596 -0.4201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4688 0.5517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1256 -0.9201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1666 1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3935 -0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8626 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2440 -0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3086 1.6895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3935 -1.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7664 0.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2596 -2.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4996 -0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9916 -2.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4996 -2.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5935 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5935 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3802 3.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9384 1.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9025 -1.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7804 1.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1757 2.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8579 -0.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6736 2.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1481 0.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4944 1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2675 2.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4205 1.8308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 0.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6816 -2.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5285 -2.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3016 -1.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 -3.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9039 3.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7122 3.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8566 3.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -1.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -1.8348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15 1 1 1 0 0 0
1 25 1 0 0 0 0
2 13 2 0 0 0 0
3 18 2 0 0 0 0
4 23 1 0 0 0 0
4 26 1 0 0 0 0
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5 26 1 0 0 0 0
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6 19 1 0 0 0 0
7 10 1 0 0 0 0
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8 10 1 0 0 0 0
8 12 1 0 0 0 0
8 14 1 6 0 0 0
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9 27 1 1 0 0 0
10 13 1 0 0 0 0
10 28 1 6 0 0 0
11 15 1 0 0 0 0
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11 30 1 0 0 0 0
12 16 1 0 0 0 0
12 20 2 0 0 0 0
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15 17 1 0 0 0 0
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22 24 1 0 0 0 0
22 41 1 0 0 0 0
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25 43 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
M END
$$$$