BK4IA7
-OEChem-04012115042D
43 45 0 1 0 0 0 0 0999 V2000
2.5381 1.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.0682 -0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.9343 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.0682 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4668 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6697 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3372 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4203 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1803 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3563 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2033 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9763 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4482 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6882 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2634 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0693 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0693 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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7 13 1 0 0 0 0
8 14 1 0 0 0 0
9 15 2 0 0 0 0
9 16 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
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12 32 1 0 0 0 0
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12 34 1 0 0 0 0
13 17 2 0 0 0 0
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16 20 2 0 0 0 0
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20 41 1 0 0 0 0
21 42 1 0 0 0 0
M END
$$$$