LJ90LO -OEChem-05032301092D 82 85 0 1 0 0 0 0 0999 V2000 7.1962 -4.6440 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -6.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -5.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -3.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -7.6828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0372 1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0372 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 6.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -3.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -5.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -6.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.1440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 7.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -7.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -6.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 8.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 1.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 2.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1846 2.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1846 1.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 2.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 3.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1846 3.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1846 2.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 0.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 4.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 5.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 6.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -5.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -4.5614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -5.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 -6.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 -6.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -5.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 -8.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 -7.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 7.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 -8.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 8.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 35 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 21 2 0 0 0 0 4 23 2 0 0 0 0 5 30 2 0 0 0 0 35 6 1 1 0 0 0 6 81 1 0 0 0 0 7 39 2 0 0 0 0 8 82 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 23 1 0 0 0 0 25 12 1 6 0 0 0 12 54 1 0 0 0 0 29 13 1 6 0 0 0 13 30 1 0 0 0 0 13 64 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 30 1 0 0 0 0 25 55 1 0 0 0 0 26 36 1 0 0 0 0 26 56 1 0 0 0 0 27 37 2 0 0 0 0 27 57 1 0 0 0 0 28 33 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 32 1 0 0 0 0 29 35 1 0 0 0 0 29 60 1 0 0 0 0 31 32 1 6 0 0 0 31 34 1 0 0 0 0 31 39 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 41 1 0 0 0 0 33 42 1 0 0 0 0 33 65 1 0 0 0 0 34 38 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 36 40 2 0 0 0 0 36 71 1 0 0 0 0 37 40 1 0 0 0 0 37 72 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 M END $$$$