BD58TL
-OEChem-04012114442D
41 44 0 0 0 0 0 0 0999 V2000
4.5981 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -2.9453 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -4.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 -5.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6139 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 9 1 0 0 0 0
2 8 1 0 0 0 0
2 19 1 0 0 0 0
3 20 2 0 0 0 0
4 10 1 0 0 0 0
4 20 1 0 0 0 0
4 30 1 0 0 0 0
5 11 2 0 0 0 0
5 18 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
6 36 1 0 0 0 0
7 10 1 0 0 0 0
7 12 2 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 14 1 0 0 0 0
10 13 2 0 0 0 0
11 15 1 0 0 0 0
12 16 1 0 0 0 0
12 27 1 0 0 0 0
13 17 1 0 0 0 0
13 28 1 0 0 0 0
14 18 2 0 0 0 0
14 29 1 0 0 0 0
15 19 2 0 0 0 0
15 31 1 0 0 0 0
16 17 2 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
22 37 1 0 0 0 0
23 25 2 0 0 0 0
23 38 1 0 0 0 0
24 26 2 0 0 0 0
24 39 1 0 0 0 0
25 26 1 0 0 0 0
25 40 1 0 0 0 0
26 41 1 0 0 0 0
M END
$$$$