B6EDO1
-OEChem-04012116432D
71 75 0 0 0 0 0 0 0999 V2000
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14.6962 -1.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0284 1.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.9854 2.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.7392 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1949 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4629 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7899 0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.6962 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3391 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6747 1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3176 3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7392 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7930 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7930 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3228 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9639 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9270 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9270 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0610 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0610 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0284 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7308 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8648 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5968 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 -0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3289 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7617 0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 -1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3176 -3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1699 0.8895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9275 0.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3185 3.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7252 2.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6953 0.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2886 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8439 3.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0863 3.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0293 2.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4361 1.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9428 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0918 1.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5706 2.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8361 3.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9270 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9270 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4361 -1.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0293 -2.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5240 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1949 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3323 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1293 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9954 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1983 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4629 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2232 0.9028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5397 1.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0604 -2.3171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8966 0.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 -2.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 -1.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1897 -3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9242 -3.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4454 -2.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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37 71 1 0 0 0 0
M END
$$$$