B12YCL
-OEChem-04012113573D
44 45 0 1 0 0 0 0 0999 V2000
-2.9486 1.3337 1.2637 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7090 -0.5568 -0.0654 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0268 2.0510 -1.7367 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8429 1.6450 0.1552 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8789 -1.2225 -0.6383 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3191 -1.2080 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3189 -1.4480 0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3828 -2.3846 -1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4017 -2.6276 1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9871 -3.3567 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9377 1.6532 -0.8551 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5782 0.8033 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2436 2.8715 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1794 2.4772 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8510 1.2452 1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9146 0.3784 0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0415 0.9652 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7531 -0.9952 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9908 0.1242 -0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7600 -1.7485 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8678 -0.5424 -2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2462 -1.5744 -1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2690 -1.8004 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5491 -0.9069 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1690 -2.9110 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4279 -2.0077 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5026 -2.2639 1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9051 -3.3233 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8626 -3.8481 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2624 -4.1428 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1834 1.1071 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9711 3.5286 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7834 3.4705 -1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6232 1.9629 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2779 3.3971 1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6581 2.6252 -2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6828 2.6488 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2816 2.1635 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 2.1277 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3852 0.6943 1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1889 2.0393 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8775 -1.4771 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8956 0.5256 -1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6895 -2.8304 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 12 1 0 0 0 0
3 11 1 0 0 0 0
3 36 1 0 0 0 0
3 37 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
4 38 1 0 0 0 0
5 19 2 0 0 0 0
5 20 1 0 0 0 0
6 8 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 9 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 10 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 31 1 0 0 0 0
13 14 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 16 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 19 1 0 0 0 0
17 41 1 0 0 0 0
18 20 2 0 0 0 0
18 42 1 0 0 0 0
19 43 1 0 0 0 0
20 44 1 0 0 0 0
M END
$$$$