B2APB0
-OEChem-04012118122D
48 49 0 1 0 0 0 0 0999 V2000
5.4641 0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 O 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
5.4641 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 C 0 0 2 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 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 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
3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 C 0 0 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
5.4641 -2.2500 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
2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 2.5600 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
4.9966 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 8 1 0 0 0 0
1 16 1 0 0 0 0
2 21 1 0 0 0 0
5 15 1 0 0 0 0
5 41 1 0 0 0 0
6 15 2 0 0 0 0
7 24 1 0 0 0 0
7 27 1 0 0 0 0
10 8 1 6 0 0 0
8 12 1 0 0 0 0
9 21 1 0 0 0 0
9 26 2 0 0 0 0
10 11 1 0 0 0 0
10 15 1 0 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
11 29 1 0 0 0 0
12 17 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
17 20 1 0 0 0 0
17 21 2 0 0 0 0
18 22 1 0 0 0 0
18 38 1 0 0 0 0
19 23 2 0 0 0 0
19 39 1 0 0 0 0
20 25 2 0 0 0 0
20 40 1 0 0 0 0
22 24 2 0 0 0 0
22 42 1 0 0 0 0
23 24 1 0 0 0 0
23 43 1 0 0 0 0
25 26 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
M END
$$$$