BISP89 -OEChem-04022102213D 47 51 0 1 0 0 0 0 0999 V2000 -1.8584 3.1965 -2.8972 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 -1.4714 -1.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 0.7021 0.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4368 -0.8880 0.6879 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1407 -1.0407 0.2946 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 0.3425 1.4474 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2391 0.8065 1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 -0.0994 0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3823 1.3524 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 0.0865 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 -1.7300 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 1.7556 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 1.8912 1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 -0.7662 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 1.1149 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -0.5898 -0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 -1.8490 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2212 -2.4678 -0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 0.4567 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 1.3005 1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5194 2.6978 -1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2617 2.8335 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 3.2366 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1347 -1.4192 -0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6079 0.0211 -0.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 -2.7056 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 -3.3244 -1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4181 -3.4431 -0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1885 0.1488 2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 0.5664 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 1.8688 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9092 1.3478 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 1.5868 2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 -1.5775 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1218 1.7922 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 -1.3017 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3041 -2.3908 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5128 2.1080 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2017 3.2530 0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2616 3.9716 -1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5932 -1.9551 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3931 -1.9462 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 0.0615 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3126 0.5599 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5456 -2.8007 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 -3.8975 -2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1966 -4.1101 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 12 32 1 0 0 0 0 13 22 2 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 17 26 1 0 0 0 0 17 36 1 0 0 0 0 18 27 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$