BJY45A
-OEChem-04022106272D
50 52 0 1 0 0 0 0 0999 V2000
4.5981 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 14 2 0 0 0 0
3 19 1 0 0 0 0
3 49 1 0 0 0 0
4 30 1 0 0 0 0
4 50 1 0 0 0 0
5 30 2 0 0 0 0
8 6 1 6 0 0 0
6 14 1 0 0 0 0
6 34 1 0 0 0 0
7 11 1 0 0 0 0
7 15 1 0 0 0 0
7 37 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 31 1 0 0 0 0
9 10 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
12 16 1 0 0 0 0
12 35 1 0 0 0 0
13 17 2 0 0 0 0
13 36 1 0 0 0 0
14 18 1 0 0 0 0
15 20 2 0 0 0 0
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16 19 2 0 0 0 0
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17 19 1 0 0 0 0
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18 22 2 0 0 0 0
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20 24 1 0 0 0 0
20 40 1 0 0 0 0
21 25 2 0 0 0 0
21 41 1 0 0 0 0
22 27 1 0 0 0 0
22 42 1 0 0 0 0
23 28 2 0 0 0 0
23 43 1 0 0 0 0
24 26 2 0 0 0 0
24 44 1 0 0 0 0
25 26 1 0 0 0 0
25 45 1 0 0 0 0
26 30 1 0 0 0 0
27 29 2 0 0 0 0
27 46 1 0 0 0 0
28 29 1 0 0 0 0
28 47 1 0 0 0 0
29 48 1 0 0 0 0
M END
$$$$