BH58GP
-OEChem-04022106192D
46 48 0 1 0 0 0 0 0999 V2000
8.1601 -2.7772 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.1921 0.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.8617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1601 1.2228 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.6569 2.1707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 2.4495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3511 1.8106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6601 2.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6601 2.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9691 1.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4000 1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1601 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0261 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2941 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7058 1.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3968 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0261 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2941 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1601 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2541 1.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 3.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0536 2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2666 2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5953 3.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2791 1.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5355 2.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7858 2.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5631 0.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7571 0.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7196 -0.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 -1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7228 -1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3644 1.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 0.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2536 -0.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1196 -0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9825 0.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7612 0.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5631 -1.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7571 -1.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 11 2 0 0 0 0
3 6 1 0 0 0 0
3 16 1 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
5 11 1 0 0 0 0
5 17 1 0 0 0 0
5 32 1 0 0 0 0
6 17 2 0 0 0 0
7 8 1 0 0 0 0
7 11 1 6 0 0 0
7 25 1 0 0 0 0
8 9 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
13 19 1 0 0 0 0
13 20 1 0 0 0 0
13 21 1 0 0 0 0
14 22 1 0 0 0 0
14 33 1 0 0 0 0
15 23 2 0 0 0 0
15 34 1 0 0 0 0
16 18 2 0 0 0 0
17 18 1 0 0 0 0
18 44 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
22 24 2 0 0 0 0
22 45 1 0 0 0 0
23 24 1 0 0 0 0
23 46 1 0 0 0 0
M END
$$$$