LCA90I -OEChem-05022323372D 58 61 0 0 0 0 0 0 0999 V2000 11.0388 -2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0388 2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0388 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9049 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1728 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5388 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5388 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9049 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1728 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0388 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5388 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0388 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0388 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0388 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5154 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1169 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9608 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5622 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1215 0.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4312 0.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1169 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5154 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5622 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9608 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2288 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4188 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8488 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2288 2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6588 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8488 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8488 2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2288 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2288 2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0388 2.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6588 2.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0388 3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 3.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 19 2 0 0 0 0 4 29 1 0 0 0 0 4 32 1 0 0 0 0 5 28 2 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 43 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 16 18 2 0 0 0 0 16 45 1 0 0 0 0 17 20 2 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 27 2 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$