LBO5H3
-OEChem-05022323043D
36 40 0 0 0 0 0 0 0999 V2000
2.5671 1.6988 0.3434 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1438 -0.4593 1.5574 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7149 -2.9107 -0.5991 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3549 -3.3320 -0.3624 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6132 0.9071 -0.0941 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7247 2.2612 0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0626 3.9184 0.7220 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2161 -0.7684 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9303 -1.3363 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4417 -1.1529 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9283 0.2666 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2127 -0.5389 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4272 -2.5179 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1342 0.4409 0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7931 -0.7283 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9889 -1.1944 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8004 -2.6881 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5535 -1.8311 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 1.0744 -1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0909 1.3864 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3371 0.6229 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6097 2.0243 -1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8049 2.1762 -0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5066 2.6813 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1589 0.5223 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8272 -1.9518 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8951 -0.5615 2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6716 -3.3401 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0017 -3.8525 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6151 -1.9510 -0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7366 0.9690 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0216 1.5053 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4098 2.6499 -2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5270 2.9201 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6919 4.7110 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0807 4.1075 0.8948 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
$$$$