LGQI95 -OEChem-05032300392D 82 84 0 1 0 0 0 0 0999 V2000 10.0981 3.2320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 4.9641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 -1.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 -2.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 0.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 -0.2321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 0.6340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0981 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 -1.0981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5981 4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 -1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -1.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 -0.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 0.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6231 0.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6231 -0.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -1.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5155 -0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 -0.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 1.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 1.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 1.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -5.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -5.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -4.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -2.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -2.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -3.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 1.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2881 -1.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6807 -0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9904 0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 3.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 1.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0155 -1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7057 -1.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2181 -1.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 4.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7181 -0.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4081 -2.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 37 1 0 0 0 0 19 3 1 6 0 0 0 3 72 1 0 0 0 0 4 31 2 0 0 0 0 38 5 1 1 0 0 0 5 81 1 0 0 0 0 6 40 1 0 0 0 0 6 82 1 0 0 0 0 7 40 2 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 51 1 0 0 0 0 22 9 1 6 0 0 0 9 31 1 0 0 0 0 9 71 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 21 1 0 0 0 0 18 54 1 0 0 0 0 19 22 1 0 0 0 0 19 55 1 0 0 0 0 20 24 2 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 22 57 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 37 1 0 0 0 0 33 75 1 0 0 0 0 34 36 2 0 0 0 0 34 76 1 0 0 0 0 35 38 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 39 1 0 0 0 0 37 39 2 0 0 0 0 38 40 1 0 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 M END $$$$