B3KE5N
-OEChem-04012116382D
47 51 0 1 0 0 0 0 0999 V2000
4.8449 2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8411 -0.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 -1.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 -2.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4575 0.1721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1256 -2.4028 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.2596 -0.9028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4688 0.0690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1256 -1.4028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3935 -1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1666 1.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8626 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2440 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3086 1.2069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3935 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2596 -2.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7664 0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4996 -0.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9916 -2.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4996 -2.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5935 -1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5935 -2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3802 2.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9384 0.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9025 -1.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7804 1.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1757 1.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8579 -1.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6736 1.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8610 -3.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6581 -3.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1481 0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 -0.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4944 0.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2675 1.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4205 1.3481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6816 -3.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5285 -3.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3016 -2.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 -3.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9039 2.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7122 3.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8566 3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -1.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -2.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14 1 1 1 0 0 0
1 24 1 0 0 0 0
2 12 2 0 0 0 0
3 22 1 0 0 0 0
3 25 1 0 0 0 0
4 23 1 0 0 0 0
4 25 1 0 0 0 0
5 8 1 0 0 0 0
5 12 1 0 0 0 0
5 19 1 0 0 0 0
6 9 1 0 0 0 0
6 16 1 0 0 0 0
6 20 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 13 1 6 0 0 0
8 11 1 0 0 0 0
8 26 1 1 0 0 0
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9 27 1 6 0 0 0
10 15 1 0 0 0 0
10 18 2 0 0 0 0
11 14 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
13 17 2 0 0 0 0
13 30 1 0 0 0 0
14 17 1 0 0 0 0
14 31 1 0 0 0 0
15 16 1 0 0 0 0
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18 22 1 0 0 0 0
18 35 1 0 0 0 0
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22 23 2 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
M END
$$$$