BH6XL1
-OEChem-04022107063D
40 42 0 0 0 0 0 0 0999 V2000
3.0730 2.3194 -1.0598 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.7494 0.8570 -1.2363 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1381 -1.4097 -0.5160 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5328 0.9899 0.4459 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7057 -2.2870 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8081 -1.1954 -1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5245 -2.0443 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8654 0.2016 -0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5759 -0.6517 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7212 0.4086 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8811 1.4491 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7369 1.6842 0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5688 1.2203 1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7786 0.4881 0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6731 1.1225 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7752 0.4062 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0055 -0.8343 1.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9973 -0.8881 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1295 -1.5374 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6091 -0.2990 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5978 -3.2649 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6354 -2.3169 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9434 -1.2637 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7017 -1.3631 -2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5237 -2.8049 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5862 -2.1614 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8700 0.9482 -1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8088 0.3214 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4402 -0.5894 1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6891 -0.5407 1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5488 2.7659 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9987 1.4188 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2742 1.3327 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7932 2.2913 1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3101 0.8724 2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5123 2.1417 -0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3056 -1.3248 1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3080 -2.5571 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6834 -0.6186 -2.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6074 -0.0155 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
2 16 1 0 0 0 0
2 20 1 0 0 0 0
3 18 1 0 0 0 0
3 20 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
4 33 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 14 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 2 0 0 0 0
14 17 1 0 0 0 0
15 16 1 0 0 0 0
15 36 1 0 0 0 0
16 18 2 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
19 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
M END
$$$$