L2OL3U
-OEChem-05022322522D
44 46 0 1 0 0 0 0 0999 V2000
8.4752 2.5231 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
10.1980 2.7012 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
5.9405 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4026 1.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6844 3.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6651 1.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2852 3.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0615 1.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8888 3.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1109 2.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7897 1.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.4993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.1087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.3040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4026 1.2613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9917 2.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9889 0.4513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9422 1.7586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7523 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6063 3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1220 1.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4309 2.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4266 0.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4942 1.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0999 2.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3070 2.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0935 1.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1000 3.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -1.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8084 1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1723 3.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8595 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0404 3.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6131 2.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
1 9 2 0 0 0 0
2 7 1 0 0 0 0
2 10 1 0 0 0 0
2 11 2 0 0 0 0
2 27 1 0 0 0 0
3 19 1 0 0 0 0
3 20 1 0 0 0 0
17 4 1 6 0 0 0
4 34 1 0 0 0 0
18 5 1 6 0 0 0
5 35 1 0 0 0 0
6 21 1 0 0 0 0
8 40 1 0 0 0 0
10 44 1 0 0 0 0
19 12 1 1 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
13 23 2 0 0 0 0
13 24 1 0 0 0 0
14 22 2 0 0 0 0
14 26 1 0 0 0 0
15 25 1 0 0 0 0
15 26 2 0 0 0 0
16 25 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 28 1 0 0 0 0
18 20 1 0 0 0 0
18 29 1 0 0 0 0
19 30 1 0 0 0 0
20 21 1 1 0 0 0
20 31 1 0 0 0 0
21 32 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
23 36 1 0 0 0 0
24 25 2 0 0 0 0
26 37 1 0 0 0 0
27 41 1 0 0 0 0
27 42 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$