LLE6B3 -OEChem-05032301282D 80 85 0 1 0 0 0 0 0999 V2000 7.1536 0.2805 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 2.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -4.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9642 -3.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -1.2195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 3.8965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -3.2195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6328 5.4974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 3.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2158 -6.2195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.9190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2158 -4.2195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 6.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9758 -6.2541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8819 -4.6987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7460 -6.2436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2876 1.7805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3741 1.3738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7050 2.1169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0197 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 2.9830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8857 0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0197 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 -1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 4.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -2.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 5.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -5.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -4.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 5.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -4.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3498 -5.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8498 -6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 3.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0819 -5.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0819 -4.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9758 -4.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8819 -5.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8076 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 0.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4828 1.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0197 0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 3.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2842 0.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4872 0.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 -1.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8076 -1.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7642 1.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3657 1.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3623 -0.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9638 0.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4872 -2.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2842 -2.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2283 -1.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8298 -1.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 0.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 1.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0072 -2.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 -3.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 4.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0207 -2.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2158 -6.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3498 -5.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7298 -5.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3498 -6.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3129 -6.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 -7.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3867 -6.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 3.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 6.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 6.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4176 -4.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7436 -6.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2841 -5.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 26 1 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 20 3 1 1 0 0 0 3 62 1 0 0 0 0 21 4 1 1 0 0 0 4 63 1 0 0 0 0 5 37 2 0 0 0 0 6 43 2 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 23 8 1 6 0 0 0 8 30 1 0 0 0 0 8 32 1 0 0 0 0 9 31 1 0 0 0 0 9 37 1 0 0 0 0 9 67 1 0 0 0 0 10 32 2 0 0 0 0 10 33 1 0 0 0 0 11 30 2 0 0 0 0 11 40 1 0 0 0 0 12 34 1 0 0 0 0 12 41 1 0 0 0 0 12 68 1 0 0 0 0 13 36 1 0 0 0 0 13 40 2 0 0 0 0 14 35 2 0 0 0 0 14 42 1 0 0 0 0 15 36 1 0 0 0 0 15 76 1 0 0 0 0 15 77 1 0 0 0 0 16 41 1 0 0 0 0 16 44 2 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 78 1 0 0 0 0 18 44 1 0 0 0 0 18 79 1 0 0 0 0 18 80 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 6 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 27 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 31 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 33 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 33 36 2 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 35 37 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 M END $$$$