D0VE2A
-OEChem-09301911272D
53 56 0 0 0 0 0 0 0999 V2000
2.0000 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9446 -1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.3242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 2.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 3.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 3.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 2.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9490 2.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3979 0.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3979 1.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 25 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 12 1 0 0 0 0
4 15 1 0 0 0 0
4 18 1 0 0 0 0
4 45 1 0 0 0 0
5 17 2 0 0 0 0
5 18 1 0 0 0 0
6 25 1 0 0 0 0
6 28 1 0 0 0 0
6 50 1 0 0 0 0
7 26 1 0 0 0 0
7 52 1 0 0 0 0
7 53 1 0 0 0 0
8 10 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 21 1 0 0 0 0
13 37 1 0 0 0 0
14 22 2 0 0 0 0
14 38 1 0 0 0 0
15 21 2 0 0 0 0
15 22 1 0 0 0 0
16 17 1 0 0 0 0
16 23 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 24 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 25 1 0 0 0 0
20 24 2 0 0 0 0
20 27 1 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
23 26 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
24 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 28 2 0 0 0 0
27 49 1 0 0 0 0
28 51 1 0 0 0 0
M END
$$$$