B42DXU
-OEChem-04012112552D
50 52 0 0 0 0 0 0 0999 V2000
7.9930 -0.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 1.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8030 1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6856 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1808 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1808 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0375 -0.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0375 0.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1666 1.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3052 2.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4395 2.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2756 2.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4951 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0956 1.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 1.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -0.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 -0.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 0.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -0.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 -0.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8008 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1808 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5608 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1808 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1808 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8008 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1808 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
2 15 1 0 0 0 0
2 16 1 0 0 0 0
2 19 1 0 0 0 0
3 19 2 0 0 0 0
3 50 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 6 2 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 14 2 0 0 0 0
9 20 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 11 2 0 0 0 0
10 25 1 0 0 0 0
11 14 1 0 0 0 0
11 19 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 32 1 0 0 0 0
15 17 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
17 18 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
20 41 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
21 44 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
22 47 1 0 0 0 0
22 48 1 0 0 0 0
22 49 1 0 0 0 0
M END
$$$$