BXE12U
-OEChem-04022107562D
43 45 0 0 0 0 0 0 0999 V2000
2.6663 -0.6872 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.2264 1.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1736 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0454 -0.2973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5756 -2.3215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5756 0.6785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4455 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3134 -0.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7095 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9095 -0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7095 -1.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5814 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8156 -0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1775 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5756 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9095 -1.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8156 -2.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4807 0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4416 -1.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4416 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 0.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3076 -2.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0222 2.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0451 -1.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8422 -1.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7138 0.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9167 0.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8228 0.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0478 0.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3738 -2.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8228 -2.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9785 -0.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2533 1.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3832 -0.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9976 -2.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8446 -2.6315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6176 -1.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1125 0.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0386 0.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6292 2.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8957 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4153 2.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 22 1 0 0 0 0
2 18 1 0 0 0 0
2 24 1 0 0 0 0
3 14 2 0 0 0 0
4 10 1 0 0 0 0
4 14 1 0 0 0 0
4 30 1 0 0 0 0
5 11 2 0 0 0 0
5 19 1 0 0 0 0
6 15 1 0 0 0 0
6 39 1 0 0 0 0
6 40 1 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 14 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 15 2 0 0 0 0
10 13 2 0 0 0 0
10 16 1 0 0 0 0
11 17 1 0 0 0 0
12 18 2 0 0 0 0
13 29 1 0 0 0 0
15 20 1 0 0 0 0
16 17 2 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
18 21 1 0 0 0 0
19 20 2 0 0 0 0
19 23 1 0 0 0 0
20 33 1 0 0 0 0
21 22 2 0 0 0 0
21 34 1 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
M END
$$$$