BO3K8F
-OEChem-04022102152D
49 52 0 1 0 0 0 0 0999 V2000
10.8416 -3.1985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.0233 0.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0406 3.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 3.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0052 -0.7498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3007 1.8325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.1985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3121 -0.4363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3007 0.8325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7619 1.3325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3497 0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1392 -1.2498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1097 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7484 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3471 -2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3416 -2.3325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3497 2.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2256 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8532 1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4804 1.8849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8127 0.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6018 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1067 -0.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2853 -1.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1128 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1793 1.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8695 0.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7305 -2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3471 -2.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9608 -2.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8023 2.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 3.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 3.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 0.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 1.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17 1 1 1 0 0 0
2 13 2 0 0 0 0
3 18 2 0 0 0 0
4 19 2 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
5 14 1 0 0 0 0
6 9 1 0 0 0 0
6 18 1 0 0 0 0
6 41 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 24 3 0 0 0 0
9 11 1 0 0 0 0
9 13 1 6 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 15 1 1 0 0 0
10 18 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 16 1 0 0 0 0
12 24 1 1 0 0 0
12 33 1 0 0 0 0
14 17 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 19 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 17 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
20 22 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
21 23 1 0 0 0 0
21 44 1 0 0 0 0
21 45 1 0 0 0 0
22 23 1 0 0 0 0
22 25 2 0 0 0 0
23 26 2 0 0 0 0
25 27 1 0 0 0 0
25 46 1 0 0 0 0
26 28 1 0 0 0 0
26 47 1 0 0 0 0
27 28 2 0 0 0 0
27 48 1 0 0 0 0
28 49 1 0 0 0 0
M END
$$$$