BKAX21
-OEChem-04012114293D
45 47 0 0 0 0 0 0 0999 V2000
-0.5560 -0.0463 2.2473 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3154 0.0466 -2.4073 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7221 0.0001 1.0239 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0762 -0.0001 -0.0535 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5077 0.0000 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 -1.2078 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2118 1.2081 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4955 -2.5182 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4937 2.5183 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6058 -1.2077 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6048 1.2083 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7705 -0.0042 1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 0.0038 -1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1328 0.0015 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0616 -0.0021 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 -3.3548 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 -3.3450 -1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8569 3.3546 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7254 3.3455 1.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3017 0.0004 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3412 0.0010 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1945 -0.0015 -1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5028 0.0003 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4300 -0.0008 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4122 -2.3724 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4105 2.3723 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1720 -2.1345 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1704 2.1352 0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4498 -2.7871 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1187 -4.2648 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7745 -3.6597 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9111 -3.6493 -1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2510 -4.2550 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6747 -2.7703 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6732 2.7866 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2482 4.2646 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9087 3.6597 -1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7716 3.6501 1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1155 4.2554 1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 2.7710 2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3863 0.0006 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3843 0.0008 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1388 -0.0014 -2.7272 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3443 -0.0009 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5923 0.0008 1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 13 2 0 0 0 0
3 23 1 0 0 0 0
3 45 1 0 0 0 0
4 5 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
7 9 1 0 0 0 0
7 11 2 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
8 25 1 0 0 0 0
9 18 1 0 0 0 0
9 19 1 0 0 0 0
9 26 1 0 0 0 0
10 20 2 0 0 0 0
10 27 1 0 0 0 0
11 20 1 0 0 0 0
11 28 1 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
14 15 2 0 0 0 0
14 21 1 0 0 0 0
15 22 1 0 0 0 0
16 29 1 0 0 0 0
16 30 1 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
20 41 1 0 0 0 0
21 23 2 0 0 0 0
21 42 1 0 0 0 0
22 24 2 0 0 0 0
22 43 1 0 0 0 0
23 24 1 0 0 0 0
24 44 1 0 0 0 0
M END
$$$$