BNU75V -OEChem-04022102422D 51 53 0 1 0 0 0 0 0999 V2000 2.8660 -1.4999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 -0.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8656 -0.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0001 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8046 1.3062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1714 -0.9591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 2.5934 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 3.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 4.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 3.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9635 0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1225 -1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3304 -2.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5873 -2.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2815 -2.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7952 -3.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4894 -3.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7462 -4.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1638 2.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7296 2.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 3.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 4.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 4.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 4.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2166 3.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 1.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 1.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2653 1.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 0.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0498 0.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7107 -1.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 -2.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 -2.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3344 -4.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0790 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8751 -4.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 14 2 0 0 0 0 3 21 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 16 19 2 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$