BEGH78
-OEChem-04022110442D
44 46 0 0 0 0 0 0 0999 V2000
4.9889 -2.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.8022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0279 -0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8543 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9676 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3543 1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1413 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6203 1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7337 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8543 2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3543 1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0810 -1.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3753 -2.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5600 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 2.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6162 -1.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5127 2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3163 -0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3912 2.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1643 3.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3173 2.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3543 2.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7343 1.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3543 1.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8689 -2.4109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6636 -2.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2930 -1.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9768 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9004 -2.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7738 -2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0350 1.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 12 2 0 0 0 0
3 4 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
4 5 2 0 0 0 0
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5 9 1 0 0 0 0
6 8 1 0 0 0 0
6 10 2 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
7 24 1 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
8 25 1 0 0 0 0
9 19 2 0 0 0 0
9 26 1 0 0 0 0
10 19 1 0 0 0 0
10 27 1 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
13 14 1 0 0 0 0
13 20 2 0 0 0 0
14 21 2 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
19 40 1 0 0 0 0
20 22 1 0 0 0 0
20 41 1 0 0 0 0
21 23 1 0 0 0 0
21 42 1 0 0 0 0
22 23 2 0 0 0 0
22 43 1 0 0 0 0
23 44 1 0 0 0 0
M END
$$$$