BUE4O3
-OEChem-04022106123D
40 43 0 0 0 0 0 0 0999 V2000
2.6143 -2.1666 0.0197 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4882 2.7531 -0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0871 2.4046 0.0418 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8184 -0.5683 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3318 0.8557 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2815 -0.6296 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5951 1.9082 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4741 0.5397 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1212 1.9077 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4130 -1.4968 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3537 -1.0242 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0589 0.4052 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6533 -1.8914 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -0.8839 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2683 -2.0205 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9766 -0.9703 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8659 1.6063 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8710 0.0678 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3739 1.4131 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1553 -0.5120 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9471 -1.8763 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4567 0.1782 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4085 0.9280 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2006 1.0775 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7109 1.7267 1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0216 2.8988 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6117 2.5308 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0088 2.3772 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4998 -1.3694 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9849 -1.2783 -2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2338 -2.5565 -0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9253 -0.4393 2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4441 -0.9270 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1127 -2.0751 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2431 -2.8046 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1645 -3.0174 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 -2.7328 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2890 -0.5333 0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5722 0.8168 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5414 0.8062 0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 21 1 0 0 0 0
2 17 2 0 0 0 0
3 19 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
5 7 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 8 2 0 0 0 0
6 13 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 9 1 0 0 0 0
8 12 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
10 31 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 14 2 0 0 0 0
12 17 1 0 0 0 0
13 15 2 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
15 36 1 0 0 0 0
16 18 2 0 0 0 0
17 19 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
M END
$$$$