B4W5KO -OEChem-04012115342D 91 93 0 1 0 0 0 0 0999 V2000 11.0092 -2.6370 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9114 4.8082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 0.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5683 1.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9114 1.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8362 5.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8362 -0.8051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 -0.3051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4343 -0.3051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 3.6949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7774 3.3082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 0.1026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 -0.3051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6282 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5683 -0.8051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6434 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 0.6949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5683 -1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 -0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 1.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4343 2.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3004 2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4343 3.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4343 -2.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3004 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5683 4.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 2.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7774 2.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4343 0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 3.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5374 -3.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8362 4.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3421 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5159 -3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8695 -4.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8266 -4.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1802 -4.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1587 -5.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9114 3.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0453 3.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4452 0.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 0.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 1.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1052 -1.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0244 0.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 0.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 0.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8362 -1.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9577 -1.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3562 -2.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 0.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 1.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 1.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8554 2.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 -0.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 2.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4936 2.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 2.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2223 2.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9109 2.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5124 2.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0449 3.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6464 4.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9713 -0.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5124 0.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9109 1.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9668 4.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 4.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1823 2.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5808 2.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 2.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 1.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 3.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1008 3.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 4.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 -1.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3143 3.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2629 -3.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4332 -4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 -0.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7661 -5.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3513 -5.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 3.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3553 2.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 44 2 0 0 0 0 3 20 2 0 0 0 0 4 22 2 0 0 0 0 5 33 2 0 0 0 0 6 36 2 0 0 0 0 7 37 2 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 53 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 60 1 0 0 0 0 10 16 1 0 0 0 0 10 33 1 0 0 0 0 10 69 1 0 0 0 0 11 31 1 0 0 0 0 11 37 1 0 0 0 0 11 80 1 0 0 0 0 12 32 1 0 0 0 0 12 44 1 0 0 0 0 12 82 1 0 0 0 0 13 36 1 0 0 0 0 13 85 1 0 0 0 0 13 86 1 0 0 0 0 14 15 1 6 0 0 0 14 20 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 1 0 0 0 16 22 1 0 0 0 0 16 49 1 0 0 0 0 17 23 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 6 0 0 0 18 52 1 0 0 0 0 19 28 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 23 32 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 31 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 29 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 30 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 35 1 0 0 0 0 28 38 2 0 0 0 0 29 33 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 34 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 34 37 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 39 1 0 0 0 0 35 40 2 0 0 0 0 38 81 1 0 0 0 0 39 41 2 0 0 0 0 40 42 1 0 0 0 0 40 83 1 0 0 0 0 41 43 1 0 0 0 0 41 84 1 0 0 0 0 42 43 2 0 0 0 0 42 87 1 0 0 0 0 43 88 1 0 0 0 0 44 45 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 M END $$$$