BR3OJ0 -OEChem-04022118473D 74 77 0 1 0 0 0 0 0999 V2000 -8.0336 1.8749 2.4016 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 -0.6915 -2.7883 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 4.3623 -0.8414 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 3.1259 -2.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -1.5250 0.8129 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 0.1141 2.1349 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7354 1.4092 -0.9659 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -1.8328 -0.7729 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -0.0865 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 -1.8196 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 0.4100 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 -1.3243 2.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 -1.9969 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 -2.2549 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 -2.7677 -1.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0249 0.5846 2.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 0.0499 -1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4194 2.1662 -1.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1172 -0.2752 -0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 0.9312 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 2.1182 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8544 1.9567 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.8562 -1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 3.0007 -0.8085 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6144 -1.6220 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0108 1.1590 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3103 2.6192 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 -2.1836 0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7764 -2.3675 -1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 1.7518 1.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1767 0.7875 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -3.4907 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2585 -3.6746 -1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3327 1.9733 2.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4207 1.0089 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5787 -4.2362 -0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4988 1.6018 1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0922 0.4853 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5196 0.1302 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -2.9027 2.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4469 -1.3600 2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8845 -0.0486 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 1.4935 0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8245 -1.5239 3.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2454 -1.8952 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 -1.2980 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 -2.9533 1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7915 -2.9947 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2257 -1.3392 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 -3.6990 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5518 -2.9819 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7424 0.0936 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0886 1.6665 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 0.4026 3.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0903 3.2028 -1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 1.7964 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -1.8853 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 1.0829 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 2.4408 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 3.0249 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5788 2.9228 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 3.0494 -2.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 1.5324 -2.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8098 -1.6211 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 -1.9468 -2.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 2.0440 2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1373 0.3285 -1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0304 4.5885 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6649 -3.9285 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3865 -4.2546 -2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3784 2.4350 3.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3210 0.7151 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9542 -5.2538 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9446 2.8622 -3.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 23 2 0 0 0 0 3 24 1 0 0 0 0 3 68 1 0 0 0 0 4 27 1 0 0 0 0 4 74 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 22 1 0 0 0 0 8 15 1 0 0 0 0 8 23 1 0 0 0 0 8 57 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 24 27 1 0 0 0 0 24 61 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 32 1 0 0 0 0 28 64 1 0 0 0 0 29 33 2 0 0 0 0 29 65 1 0 0 0 0 30 34 1 0 0 0 0 30 66 1 0 0 0 0 31 35 2 0 0 0 0 31 67 1 0 0 0 0 32 36 2 0 0 0 0 32 69 1 0 0 0 0 33 36 1 0 0 0 0 33 70 1 0 0 0 0 34 37 2 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 M END $$$$