BPS40F
-OEChem-04022101062D
47 49 0 1 0 0 0 0 0999 V2000
2.7123 -2.3623 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.4444 -5.3623 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.3262 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.9781 4.7443 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.8025 6.3623 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.9444 0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4444 -5.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4444 -5.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7579 2.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -0.7745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2534 -0.7745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 1.8991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3566 0.9856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1756 2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3621 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9444 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4444 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4444 -2.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9836 4.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 5.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4444 -4.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5784 -2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3104 -2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 5.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5784 -3.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3104 -3.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4444 -6.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0155 2.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9922 1.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6616 3.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7449 2.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2973 1.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 0.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4269 0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0100 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1223 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9413 3.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0368 5.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8474 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0414 -4.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8474 -4.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8244 -6.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4444 -6.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0644 -6.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
2 7 2 0 0 0 0
2 8 2 0 0 0 0
2 24 1 0 0 0 0
2 30 1 0 0 0 0
3 18 1 0 0 0 0
4 22 1 0 0 0 0
5 27 1 0 0 0 0
6 11 1 0 0 0 0
6 16 1 0 0 0 0
12 9 1 1 0 0 0
9 38 1 0 0 0 0
9 39 1 0 0 0 0
10 16 2 0 0 0 0
10 20 1 0 0 0 0
11 20 2 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 31 1 0 0 0 0
13 15 1 6 0 0 0
13 16 1 0 0 0 0
13 32 1 0 0 0 0
14 17 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
18 23 2 0 0 0 0
19 22 1 0 0 0 0
19 40 1 0 0 0 0
20 21 1 0 0 0 0
21 25 2 0 0 0 0
21 26 1 0 0 0 0
22 27 2 0 0 0 0
23 27 1 0 0 0 0
23 41 1 0 0 0 0
24 28 2 0 0 0 0
24 29 1 0 0 0 0
25 28 1 0 0 0 0
26 29 2 0 0 0 0
26 42 1 0 0 0 0
28 43 1 0 0 0 0
29 44 1 0 0 0 0
30 45 1 0 0 0 0
30 46 1 0 0 0 0
30 47 1 0 0 0 0
M END
$$$$