B3PSR7
-OEChem-04022108152D
41 42 0 0 0 0 0 0 0999 V2000
4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 N 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 4.2500 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
7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.7500 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
3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -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
2.0000 -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
2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 4.1423 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
7.4082 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
3 19 1 0 0 0 0
3 20 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
5 33 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
6 34 1 0 0 0 0
7 10 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 11 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 12 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
15 35 1 0 0 0 0
16 18 2 0 0 0 0
16 36 1 0 0 0 0
17 19 2 0 0 0 0
17 37 1 0 0 0 0
18 19 1 0 0 0 0
18 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
M END
$$$$