L1G4TH
-OEChem-05022321452D
41 42 0 1 0 0 0 0 0999 V2000
2.3660 0.7516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 -1.7799 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
4.3159 -3.5025 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
4.4970 -5.2251 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 1.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7226 -2.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3258 -2.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9439 -1.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9092 -4.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2294 -3.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4024 -3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0847 -6.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 -5.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3060 -4.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.7905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 6.2905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3660 0.7516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0570 1.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4184 2.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9784 0.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7470 2.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 1.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4678 -0.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3845 0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 5.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7594 -2.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 6.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 6.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7310 -3.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8326 -6.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -5.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 22 1 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 9 1 0 0 0 0
2 10 2 0 0 0 0
3 7 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
3 13 2 0 0 0 0
4 11 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
4 16 2 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 23 1 0 0 0 0
8 25 2 0 0 0 0
9 36 1 0 0 0 0
12 39 1 0 0 0 0
14 40 1 0 0 0 0
15 41 1 0 0 0 0
20 17 1 1 0 0 0
17 24 1 0 0 0 0
17 25 1 0 0 0 0
18 25 1 0 0 0 0
18 27 2 0 0 0 0
19 27 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 22 1 0 0 0 0
20 28 1 0 0 0 0
21 23 1 1 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
22 31 1 0 0 0 0
23 32 1 0 0 0 0
23 33 1 0 0 0 0
24 26 2 0 0 0 0
24 34 1 0 0 0 0
26 27 1 0 0 0 0
26 35 1 0 0 0 0
M END
$$$$