D08OMB
-OEChem-04152110482D
44 46 0 1 0 0 0 0 0999 V2000
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3.4007 -0.6024 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.5405 -1.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9106 -1.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8907 0.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7413 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7413 2.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1326 -0.5824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0093 0.9422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0093 2.9422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2609 -0.0924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2493 0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1442 -1.5823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.1432 1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0159 -2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1432 2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3432 1.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2840 -2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2493 2.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3432 2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8761 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0275 -3.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8753 1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8753 2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7478 -2.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8992 -3.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7594 -3.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2680 -0.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6775 -1.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6659 -0.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8075 1.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9678 -1.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7507 -2.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6002 -2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0093 0.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2565 3.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8075 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0093 3.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8689 -0.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4942 -3.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6069 -2.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2812 -1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9064 -4.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 11 1 0 0 0 0
3 41 1 0 0 0 0
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6 23 2 0 0 0 0
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8 13 1 0 0 0 0
8 30 1 0 0 0 0
9 14 1 0 0 0 0
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15 21 2 0 0 0 0
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17 20 2 0 0 0 0
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18 32 1 0 0 0 0
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22 26 2 0 0 0 0
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25 27 2 0 0 0 0
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26 27 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$