BHC30D
-OEChem-04042101503D
40 42 0 0 0 0 0 0 0999 V2000
1.2491 -1.8419 0.7212 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3209 0.3766 0.9922 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6533 -0.4574 -1.0945 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8808 1.5120 0.4236 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8359 -0.6360 0.7915 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4194 1.1326 0.9922 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7049 0.3307 1.6081 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8049 0.1730 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3169 -0.1483 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4220 -0.6482 0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8791 -1.0936 -1.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8882 -0.8659 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6562 1.1852 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0857 -0.4821 -0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2313 1.2700 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4072 -1.0719 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5735 0.7537 -1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2603 1.1222 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4360 -1.2198 -0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7468 -1.1307 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8627 -0.1228 -1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6919 1.2953 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2812 0.5672 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8015 1.2637 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6764 -0.4937 2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6418 -1.6215 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9480 -0.9882 -2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8210 -2.1662 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 1.9387 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3307 0.3344 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7740 2.2466 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0834 -1.9353 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0898 1.3024 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5931 1.9765 -1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9048 -2.1892 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4138 -2.0968 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6639 -0.2380 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0776 2.2597 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0036 1.7608 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8503 0.5943 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 4 1 0 0 0 0
2 7 1 0 0 0 0
2 10 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
3 30 1 0 0 0 0
4 13 2 0 0 0 0
5 20 1 0 0 0 0
5 23 2 0 0 0 0
6 23 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 24 1 0 0 0 0
7 25 1 0 0 0 0
8 15 2 0 0 0 0
8 16 1 0 0 0 0
9 10 2 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
10 26 1 0 0 0 0
11 14 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
13 29 1 0 0 0 0
14 17 1 0 0 0 0
14 20 2 0 0 0 0
15 18 1 0 0 0 0
15 31 1 0 0 0 0
16 19 2 0 0 0 0
16 32 1 0 0 0 0
17 22 2 0 0 0 0
17 33 1 0 0 0 0
18 21 2 0 0 0 0
18 34 1 0 0 0 0
19 21 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 23 1 0 0 0 0
22 38 1 0 0 0 0
M END
$$$$