LBO5H3
-OEChem-05022322562D
36 40 0 0 0 0 0 0 0999 V2000
8.1334 0.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7899 0.5025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4091 -2.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5968 -2.6954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6714 0.3672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6731 1.3672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4152 2.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8648 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7308 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4629 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5968 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4629 -2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4091 -0.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7617 0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7308 -2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9927 -1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7198 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7226 1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5968 -0.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2232 0.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5397 1.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1939 -2.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6017 -3.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6127 -1.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0604 -2.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8966 -0.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 -2.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 -1.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8308 3.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8090 2.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 24 1 0 0 0 0
2 14 1 0 0 0 0
2 16 1 0 0 0 0
2 27 1 0 0 0 0
3 13 1 0 0 0 0
3 18 1 0 0 0 0
3 29 1 0 0 0 0
4 13 1 0 0 0 0
4 17 2 0 0 0 0
5 6 1 0 0 0 0
5 21 2 0 0 0 0
6 24 2 0 0 0 0
7 24 1 0 0 0 0
7 35 1 0 0 0 0
7 36 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 16 2 0 0 0 0
9 12 2 0 0 0 0
9 17 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
10 15 1 0 0 0 0
11 14 1 0 0 0 0
11 19 2 0 0 0 0
12 25 1 0 0 0 0
14 20 2 0 0 0 0
15 18 2 0 0 0 0
15 21 1 0 0 0 0
16 26 1 0 0 0 0
17 28 1 0 0 0 0
18 30 1 0 0 0 0
19 22 1 0 0 0 0
19 31 1 0 0 0 0
20 23 1 0 0 0 0
20 32 1 0 0 0 0
22 23 2 0 0 0 0
22 33 1 0 0 0 0
23 34 1 0 0 0 0
M END
$$$$