BU26CO
-OEChem-04012113413D
44 47 0 1 0 0 0 0 0999 V2000
1.7681 -0.2062 0.9459 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7527 3.6349 -0.8012 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2214 -2.9907 0.5527 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3939 0.1888 0.2310 N 0 0 2 0 0 0 0 0 0 0 0 0
-0.2662 1.0356 0.3544 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0296 1.0121 1.2231 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0876 1.8969 -0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 -0.4266 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4658 1.5150 1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9390 2.2069 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3247 1.8331 -1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3913 2.2855 -0.5084 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8335 -1.0519 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8317 1.5262 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4100 -1.1546 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7134 -0.5094 -0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0457 -2.4023 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2078 -2.5323 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0071 -3.1480 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8227 0.3226 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2419 -3.0355 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7889 0.9878 2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 2.9477 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7986 1.6005 -1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2609 2.5384 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5540 0.9085 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4275 3.1338 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8346 2.1473 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5327 0.8006 -1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3616 2.4391 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2935 1.6780 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5075 2.0552 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7999 2.1319 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 0.1476 -1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3694 -1.3127 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9974 -3.1461 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1204 3.6524 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1285 -4.2150 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2833 -0.6624 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9909 0.9139 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3596 0.7979 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1181 -3.5304 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5237 -2.0227 -0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9013 -3.6096 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 13 1 0 0 0 0
2 12 1 0 0 0 0
2 37 1 0 0 0 0
3 17 1 0 0 0 0
3 21 1 0 0 0 0
4 14 1 0 0 0 0
4 16 1 0 0 0 0
4 20 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
6 22 1 0 0 0 0
7 11 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 13 1 0 0 0 0
8 15 2 0 0 0 0
9 14 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
13 17 2 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 16 1 0 0 0 0
15 18 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
18 19 2 0 0 0 0
18 36 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
20 41 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
M END
$$$$