BY12BQ
-OEChem-04042102213D
31 31 0 0 0 0 0 0 0999 V2000
-1.2981 -2.3856 0.3322 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1218 1.8956 -0.2951 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0979 -0.7055 -0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9573 -0.0103 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4669 -1.3158 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2787 0.8366 -0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7690 -0.4689 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0844 1.0659 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8962 -1.5451 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3762 0.2558 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0515 1.3271 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -2.9346 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5409 3.1976 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5083 1.5639 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9106 -0.7767 0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4918 2.0684 0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2790 -2.5625 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9241 -0.4823 0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5543 2.0789 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5360 -3.7540 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0904 -3.3336 -1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 -2.1826 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 3.4140 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8324 3.3511 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3541 3.9162 -0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6518 2.5161 0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0365 1.6107 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9647 0.7732 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5852 -1.6008 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8750 0.1676 1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9426 -0.9616 0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 12 1 0 0 0 0
2 6 1 0 0 0 0
2 13 1 0 0 0 0
3 7 1 0 0 0 0
3 15 1 0 0 0 0
4 5 1 0 0 0 0
4 8 2 0 0 0 0
4 10 1 0 0 0 0
5 9 2 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
7 9 1 0 0 0 0
8 16 1 0 0 0 0
9 17 1 0 0 0 0
10 11 2 0 0 0 0
10 18 1 0 0 0 0
11 14 1 0 0 0 0
11 19 1 0 0 0 0
12 20 1 0 0 0 0
12 21 1 0 0 0 0
12 22 1 0 0 0 0
13 23 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
14 28 1 0 0 0 0
15 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
M END
$$$$