BD69UM
-OEChem-04012114112D
62 66 0 1 0 0 0 0 0999 V2000
2.0000 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.2764 -0.2553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 -1.8647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5405 3.3406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5870 0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5870 -2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5655 0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8762 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2334 0.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8547 2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2119 0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5225 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2083 2.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5664 1.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9732 0.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9977 -3.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7796 -3.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1763 -2.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0407 -0.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0473 2.6475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6259 -0.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1292 1.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
1 25 1 0 0 0 0
2 20 2 0 0 0 0
3 11 1 0 0 0 0
3 13 1 0 0 0 0
3 15 1 0 0 0 0
4 16 1 0 0 0 0
4 20 1 0 0 0 0
4 21 1 0 0 0 0
10 5 1 6 0 0 0
5 44 1 0 0 0 0
5 45 1 0 0 0 0
6 19 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 17 1 0 0 0 0
7 20 1 0 0 0 0
7 26 1 0 0 0 0
8 17 1 0 0 0 0
8 19 2 0 0 0 0
9 33 3 0 0 0 0
10 11 1 0 0 0 0
10 12 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 14 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 14 1 0 0 0 0
13 39 1 0 0 0 0
13 40 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
15 16 1 0 0 0 0
15 18 2 0 0 0 0
16 17 2 0 0 0 0
18 19 1 0 0 0 0
18 43 1 0 0 0 0
21 27 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 24 1 0 0 0 0
22 48 1 0 0 0 0
22 49 1 0 0 0 0
23 25 1 0 0 0 0
23 50 1 0 0 0 0
23 51 1 0 0 0 0
24 52 1 0 0 0 0
24 53 1 0 0 0 0
25 54 1 0 0 0 0
25 55 1 0 0 0 0
26 56 1 0 0 0 0
26 57 1 0 0 0 0
26 58 1 0 0 0 0
27 28 1 0 0 0 0
27 29 2 0 0 0 0
28 30 2 0 0 0 0
28 33 1 0 0 0 0
29 31 1 0 0 0 0
29 59 1 0 0 0 0
30 32 1 0 0 0 0
30 60 1 0 0 0 0
31 32 2 0 0 0 0
31 61 1 0 0 0 0
32 62 1 0 0 0 0
M END
$$$$