BD2FO3
-OEChem-04012114002D
70 73 0 0 0 0 0 0 0999 V2000
2.0000 -1.1519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.7260 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 2.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 -2.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 0.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 2.1528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7260 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7260 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2260 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7260 -3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0920 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3600 -3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6434 -1.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3336 -1.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8086 0.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1183 1.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2009 -0.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2009 0.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5500 -0.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3230 -1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1700 -1.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1700 0.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3230 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5500 -0.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3350 -0.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1890 -4.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0360 -4.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2629 -3.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4020 -3.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6289 -2.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7820 -1.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0500 -2.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8230 -3.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6700 -4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 4.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 4.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 3.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 3.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 4.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 36 1 0 0 0 0
2 17 1 0 0 0 0
2 19 1 0 0 0 0
3 16 2 0 0 0 0
4 17 2 0 0 0 0
5 10 1 0 0 0 0
5 12 1 0 0 0 0
5 16 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
6 17 1 0 0 0 0
7 9 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 18 1 0 0 0 0
8 21 2 0 0 0 0
9 28 2 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 15 1 0 0 0 0
11 37 1 0 0 0 0
11 38 1 0 0 0 0
12 13 1 0 0 0 0
12 39 1 0 0 0 0
12 40 1 0 0 0 0
13 41 1 0 0 0 0
13 42 1 0 0 0 0
14 43 1 0 0 0 0
14 44 1 0 0 0 0
14 45 1 0 0 0 0
15 46 1 0 0 0 0
15 47 1 0 0 0 0
15 48 1 0 0 0 0
16 18 1 0 0 0 0
18 20 2 0 0 0 0
19 24 1 0 0 0 0
19 25 1 0 0 0 0
19 26 1 0 0 0 0
20 49 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 27 2 0 0 0 0
23 29 1 0 0 0 0
23 30 1 0 0 0 0
23 50 1 0 0 0 0
24 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
25 56 1 0 0 0 0
26 57 1 0 0 0 0
26 58 1 0 0 0 0
26 59 1 0 0 0 0
27 28 1 0 0 0 0
27 60 1 0 0 0 0
28 31 1 0 0 0 0
29 61 1 0 0 0 0
29 62 1 0 0 0 0
29 63 1 0 0 0 0
30 64 1 0 0 0 0
30 65 1 0 0 0 0
30 66 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
32 34 1 0 0 0 0
32 67 1 0 0 0 0
33 35 2 0 0 0 0
33 68 1 0 0 0 0
34 36 2 0 0 0 0
34 69 1 0 0 0 0
35 36 1 0 0 0 0
35 70 1 0 0 0 0
M END
$$$$