LBW05D -OEChem-05032301133D 91 95 0 1 0 0 0 0 0999 V2000 7.0465 1.3122 -2.9227 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1696 -0.2840 5.4971 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 -4.2077 -0.5789 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8802 1.3688 4.5936 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 -0.2935 -1.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2064 -4.8227 -0.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -4.1716 0.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 3.5515 -1.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 -0.9458 1.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9764 1.6596 -0.1525 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7070 -0.5649 0.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9029 -0.1943 -0.4115 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 1.7284 -0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5682 -1.6396 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7054 -1.5664 0.0666 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7543 -2.7148 1.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.2852 2.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 0.3990 -0.1868 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6879 -2.5553 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 1.7730 -1.7651 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3882 1.8800 -0.6174 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6230 2.1156 -1.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0541 0.3265 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5715 2.6921 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 0.2273 1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5435 -5.0087 -2.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5392 1.9574 -3.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 2.3197 -0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8822 -6.4703 -1.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 -4.9363 -3.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7762 -4.2889 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 0.8857 2.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 -0.5880 1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0681 2.7327 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6815 1.6890 -1.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 3.3533 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5206 0.7291 3.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2751 -0.7444 2.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0113 2.0917 -1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 3.7560 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 -0.0859 3.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5027 3.1253 -0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0635 1.4294 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5098 0.3789 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9787 2.1853 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8714 0.0842 0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3404 1.8904 -0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7868 0.8400 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2124 0.5493 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 -1.6630 2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 -1.4185 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5297 -1.8309 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 -3.3885 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 -3.1477 2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3499 -1.0756 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 -0.7573 2.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8934 -0.2109 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2767 -2.5803 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4522 -2.2442 -1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 2.5253 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 3.1612 -2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0549 1.5029 -2.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 3.7246 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 2.4039 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 3.0057 -3.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5746 1.6026 -3.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0063 1.3767 -3.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6993 -6.5481 -1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -7.0034 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 -7.0026 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6553 -5.4765 -4.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -3.9092 -3.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -5.3877 -2.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 -4.8825 -3.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 -3.3180 -3.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 -4.1415 -1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 1.5157 2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 -1.1079 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3076 0.8844 -2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 3.8544 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1322 -1.3830 3.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0467 4.5604 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 1.1284 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5369 3.4494 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7512 -0.1724 1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7096 3.0101 -1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0282 2.4884 -1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7907 -2.4448 2.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 -1.0242 2.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5886 -2.1705 1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9348 1.4543 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 41 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 19 1 0 0 0 0 3 26 1 0 0 0 0 4 37 1 0 0 0 0 5 23 2 0 0 0 0 8 34 2 0 0 0 0 9 46 1 0 0 0 0 9 50 1 0 0 0 0 10 49 1 0 0 0 0 10 91 1 0 0 0 0 11 49 2 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 0 0 0 0 13 34 1 0 0 0 0 13 43 1 0 0 0 0 13 83 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 51 1 0 0 0 0 15 19 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 21 1 0 0 0 0 18 25 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 24 34 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 35 2 0 0 0 0 28 36 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 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 31 76 1 0 0 0 0 32 37 1 0 0 0 0 32 77 1 0 0 0 0 33 38 2 0 0 0 0 33 78 1 0 0 0 0 35 39 1 0 0 0 0 35 79 1 0 0 0 0 36 40 2 0 0 0 0 36 80 1 0 0 0 0 37 41 2 0 0 0 0 38 41 1 0 0 0 0 38 81 1 0 0 0 0 39 42 2 0 0 0 0 40 42 1 0 0 0 0 40 82 1 0 0 0 0 42 84 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 44 85 1 0 0 0 0 45 47 2 0 0 0 0 45 86 1 0 0 0 0 46 48 2 0 0 0 0 47 48 1 0 0 0 0 47 87 1 0 0 0 0 48 49 1 0 0 0 0 50 88 1 0 0 0 0 50 89 1 0 0 0 0 50 90 1 0 0 0 0 M END $$$$