BL2FP4
-OEChem-04012115232D
31 32 0 0 0 0 0 0 0999 V2000
6.3301 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 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
6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 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
3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7500 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
4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 3.3326 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
3.1951 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
3 13 2 0 0 0 0
4 7 1 0 0 0 0
5 7 2 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 12 1 0 0 0 0
7 15 1 0 0 0 0
8 10 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 11 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
15 17 2 0 0 0 0
16 18 1 0 0 0 0
16 28 1 0 0 0 0
17 19 1 0 0 0 0
17 29 1 0 0 0 0
18 19 2 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
M CHG 2 4 -1 7 1
M END
$$$$