56962345 -OEChem-04252404182D 212224 0 1 0 0 0 0 0999 V2000 9.8578 1.2124 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.4049 16.1974 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.4210 1.0445 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1368 10.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1549 9.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2594 8.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6062 5.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4562 5.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7901 7.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2769 14.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4946 5.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0761 2.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 9.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1149 22.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 22.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 8.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 10.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0965 0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 8.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 13.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5369 8.3507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0549 6.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4109 15.6974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7720 5.7978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 16.9712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0562 16.1664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8212 15.3926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6062 2.2470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9049 15.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9049 17.0634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2518 2.6537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9155 2.0151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 11.4696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 12.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 13.0084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 14.7310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 9.3452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4378 9.2407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8445 10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2413 9.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6288 8.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5549 6.9494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4504 7.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5768 6.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4723 5.7470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3858 5.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7152 9.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0495 5.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5449 15.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9630 6.3856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6789 14.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0449 14.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1789 13.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0675 7.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0449 16.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1721 8.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0620 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0730 7.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6062 4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1319 17.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2769 15.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7130 17.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 17.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0835 18.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5455 18.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7402 3.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8212 17.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6856 6.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0852 19.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1347 19.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4285 17.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4723 3.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1430 15.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8750 16.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8750 15.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4049 16.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7130 18.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0090 15.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7402 2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 17.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7036 7.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1430 16.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0090 17.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4723 2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8463 4.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 19.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9115 8.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5697 7.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 18.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9061 8.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3128 7.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4049 16.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1319 14.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8463 2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9402 3.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3383 2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9402 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 20.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4428 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 20.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9049 15.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9049 17.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9210 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4049 16.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2082 2.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 21.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 8.9307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4118 9.8818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7208 8.9307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2208 10.4696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5033 1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3086 8.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4978 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 12.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0856 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9045 2.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 13.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3086 13.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 8.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2752 10.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3305 10.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0353 7.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6936 8.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1446 7.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5120 7.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9568 6.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9523 6.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0758 4.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8874 4.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6504 9.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 8.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6384 11.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8982 5.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3689 15.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1419 14.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3549 13.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5818 14.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6419 13.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4889 13.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4109 16.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7072 5.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7887 8.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2369 8.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5555 8.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9972 6.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6787 7.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1269 7.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1378 8.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4564 7.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0082 6.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5696 17.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2114 17.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7002 18.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0855 19.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0841 18.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7017 19.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2152 19.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3879 20.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5983 19.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5564 16.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0352 17.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3007 17.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0092 4.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2499 18.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0090 14.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 17.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6712 6.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6060 17.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0090 17.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8534 4.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9115 9.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2949 8.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2052 6.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0304 6.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 18.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4957 8.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7772 9.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6772 7.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8497 8.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5426 14.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3245 13.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7212 14.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4045 4.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3839 20.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9821 0.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 20.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2149 14.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2149 17.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5161 3.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 3.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9002 2.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1677 2.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0023 8.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 10.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 9.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 10.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1149 22.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7514 7.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 7.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2456 0.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 7.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.7759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 11.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5840 0.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4500 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5872 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4709 1.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1567 2.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3381 2.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 7.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 15.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2853 14.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 94 1 0 0 0 0 2104 1 0 0 0 0 3 99 1 0 0 0 0 3103 1 0 0 0 0 4 40 1 0 0 0 0 4132 1 0 0 0 0 5 40 2 0 0 0 0 6 43 2 0 0 0 0 45 7 1 6 0 0 0 7 59 1 0 0 0 0 8 48 2 0 0 0 0 9 68 1 0 0 0 0 9 81 1 0 0 0 0 10 61 2 0 0 0 0 11 68 2 0 0 0 0 12 97 1 0 0 0 0 12105 1 0 0 0 0 13109 1 0 0 0 0 13110 1 0 0 0 0 14106 1 0 0 0 0 14197 1 0 0 0 0 15106 2 0 0 0 0 107 16 1 1 0 0 0 16201 1 0 0 0 0 108 17 1 1 0 0 0 17202 1 0 0 0 0 18111 2 0 0 0 0 19112 1 0 0 0 0 19210 1 0 0 0 0 20118 2 0 0 0 0 37 21 1 1 0 0 0 21 43 1 0 0 0 0 21122 1 0 0 0 0 22 42 1 0 0 0 0 22 46 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 61 1 0 0 0 0 23140 1 0 0 0 0 50 24 1 6 0 0 0 24 68 1 0 0 0 0 24141 1 0 0 0 0 25 55 1 0 0 0 0 25 62 1 0 0 0 0 25 71 1 0 0 0 0 26 55 2 0 0 0 0 26 63 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 93 1 0 0 0 0 28 79 1 0 0 0 0 28 84 2 0 0 0 0 29 92 2 0 0 0 0 29101 1 0 0 0 0 30 92 1 0 0 0 0 30102 2 0 0 0 0 31 96 1 0 0 0 0 31103 2 0 0 0 0 32103 1 0 0 0 0 32111 1 0 0 0 0 32192 1 0 0 0 0 33 34 1 0 0 0 0 110 33 1 6 0 0 0 33114 1 0 0 0 0 34117 2 0 0 0 0 35114 2 0 0 0 0 35117 1 0 0 0 0 36118 1 0 0 0 0 36211 1 0 0 0 0 36212 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 6 0 0 0 38119 1 0 0 0 0 39120 1 0 0 0 0 39121 1 0 0 0 0 41 47 2 0 0 0 0 41123 1 0 0 0 0 42 43 1 1 0 0 0 42 44 1 0 0 0 0 42124 1 0 0 0 0 44 45 1 0 0 0 0 44125 1 0 0 0 0 44126 1 0 0 0 0 45 46 1 0 0 0 0 45127 1 0 0 0 0 46128 1 0 0 0 0 46129 1 0 0 0 0 47130 1 0 0 0 0 47131 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 49 55 1 0 0 0 0 50 54 1 0 0 0 0 50133 1 0 0 0 0 51 53 1 0 0 0 0 51134 1 0 0 0 0 51135 1 0 0 0 0 52 53 1 0 0 0 0 52136 1 0 0 0 0 52137 1 0 0 0 0 53138 1 0 0 0 0 53139 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 54 58 1 0 0 0 0 56142 1 0 0 0 0 56143 1 0 0 0 0 56144 1 0 0 0 0 57145 1 0 0 0 0 57146 1 0 0 0 0 57147 1 0 0 0 0 58148 1 0 0 0 0 58149 1 0 0 0 0 58150 1 0 0 0 0 59 66 1 0 0 0 0 59 72 2 0 0 0 0 60 64 1 0 0 0 0 60 65 1 0 0 0 0 60 67 1 0 0 0 0 60151 1 0 0 0 0 61 73 1 0 0 0 0 62 63 2 0 0 0 0 62 77 1 0 0 0 0 63 80 1 0 0 0 0 64 69 1 0 0 0 0 64152 1 0 0 0 0 64153 1 0 0 0 0 65 70 1 0 0 0 0 65154 1 0 0 0 0 65155 1 0 0 0 0 66 79 2 0 0 0 0 66 85 1 0 0 0 0 67 74 1 0 0 0 0 67 76 2 0 0 0 0 69 70 1 0 0 0 0 69156 1 0 0 0 0 69157 1 0 0 0 0 70158 1 0 0 0 0 70159 1 0 0 0 0 71160 1 0 0 0 0 71161 1 0 0 0 0 71162 1 0 0 0 0 72 84 1 0 0 0 0 72163 1 0 0 0 0 73 78 2 0 0 0 0 73 82 1 0 0 0 0 74 75 2 0 0 0 0 74 83 1 0 0 0 0 75 78 1 0 0 0 0 76 92 1 0 0 0 0 77 86 2 0 0 0 0 77164 1 0 0 0 0 78165 1 0 0 0 0 79 94 1 0 0 0 0 80 89 2 0 0 0 0 80166 1 0 0 0 0 81 87 1 0 0 0 0 81 88 1 0 0 0 0 81167 1 0 0 0 0 82 83 2 0 0 0 0 82168 1 0 0 0 0 83169 1 0 0 0 0 84 96 1 0 0 0 0 85 95 2 0 0 0 0 85170 1 0 0 0 0 86 89 1 0 0 0 0 86 98 1 0 0 0 0 87 90 1 0 0 0 0 87171 1 0 0 0 0 87172 1 0 0 0 0 88 91 1 0 0 0 0 88173 1 0 0 0 0 88174 1 0 0 0 0 89175 1 0 0 0 0 90 91 1 0 0 0 0 90176 1 0 0 0 0 90177 1 0 0 0 0 91178 1 0 0 0 0 91179 1 0 0 0 0 93180 1 0 0 0 0 93181 1 0 0 0 0 93182 1 0 0 0 0 94 97 2 0 0 0 0 95 97 1 0 0 0 0 95183 1 0 0 0 0 96 99 2 0 0 0 0 98100 2 0 0 0 0 98184 1 0 0 0 0 99185 1 0 0 0 0 100106 1 0 0 0 0 100186 1 0 0 0 0 101104 2 0 0 0 0 101187 1 0 0 0 0 102104 1 0 0 0 0 102188 1 0 0 0 0 105189 1 0 0 0 0 105190 1 0 0 0 0 105191 1 0 0 0 0 107108 1 0 0 0 0 107109 1 0 0 0 0 107193 1 0 0 0 0 108110 1 0 0 0 0 108194 1 0 0 0 0 109112 1 6 0 0 0 109195 1 0 0 0 0 110196 1 0 0 0 0 111113 1 0 0 0 0 112198 1 0 0 0 0 112199 1 0 0 0 0 113115 1 0 0 0 0 113116 1 0 0 0 0 113200 1 0 0 0 0 114203 1 0 0 0 0 115204 1 0 0 0 0 115205 1 0 0 0 0 115206 1 0 0 0 0 116207 1 0 0 0 0 116208 1 0 0 0 0 116209 1 0 0 0 0 117118 1 0 0 0 0 M END > 56962345 > 1 > 2920 > 25 > 10 > 25 > AAADcfB//gBAGAAAAAAAAAAAGABgAePFixY8eMECAAAAAFix/gAAHgRYCAABr7zl3wa/3/fMFgiuAzf3fACS+K93ur0d2LW+fPmPfvLk/fuffSjv3xvb+7f++e+P6AAAUgACBCjQAACkAAQIUAAAAAAAAA== > (1R,2S)-1-[[(2S,4R)-4-[[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)thiazol-4-yl]-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-indole-6-carbonyl]amino]cyclobutyl]-3-methyl-benzimidazol-5-yl]prop-2-enoic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[[(2S,4R)-4-[[8-bromo-7-methoxy-2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-1-[(2S)-2-[[cyclopentyloxy(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid;(E)-3-[2-[1-[[[2-(5-bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-6-indolyl]-oxomethyl]amino]cyclobutyl]-3-methyl-5-benzimidazolyl]-2-propenoic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[(2S,4R)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[(2S,4R)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[(2S,4R)-4-[8-bromanyl-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid;(E)-3-[2-[1-[[2-(5-bromanylpyrimidin-2-yl)-3-cyclopentyl-1-methyl-indol-6-yl]carbonylamino]cyclobutyl]-3-methyl-benzimidazol-5-yl]prop-2-enoic acid;1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[(2S,4R)-4-[[8-bromo-2-[2-(isobutyrylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid;(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-indole-6-carbonyl]amino]cyclobutyl]-3-methyl-benzimidazol-5-yl]acrylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide > InChI=1S/C40H49BrN6O9S.C34H33BrN6O3.C8H12N4O5/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41;1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2;9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48);8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43);2-5,8,13-15H,1H2,(H2,9,16)/b;13-9+;/t21-,23-,27+,32-,40-;;3-,4-,5-,8-/m1.1/s1 > CFFHLOHKBIXSPS-HDMVDIKISA-N > 1766.50498 > C82H94Br2N16O17S > 1767.6 > CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O.CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C4=NC5=C(N4C)C=C(C=C5)C=CC(=O)O)C(=C1C6=NC=C(C=N6)Br)C7CCCC7.C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N > CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O.CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C4=NC5=C(N4C)C=C(C=C5)/C=C/C(=O)O)C(=C1C6=NC=C(C=N6)Br)C7CCCC7.C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N > 485 > 1764.50703 > 0 > 118 > 9 > 0 > 1 > 0 > 0 > 3 > -1 > 1 5 255 > 101 104 8 102 104 8 109 112 6 107 16 5 108 17 5 37 21 5 50 24 6 25 55 8 25 62 8 26 55 8 26 63 8 27 75 8 27 76 8 28 79 8 28 84 8 29 101 8 29 92 8 3 103 8 3 99 8 30 102 8 30 92 8 31 103 8 31 96 8 110 33 6 33 114 8 33 34 8 34 117 8 35 114 8 35 117 8 38 41 6 42 43 5 59 66 8 59 72 8 62 63 8 62 77 8 63 80 8 66 79 8 66 85 8 67 74 8 67 76 8 45 7 6 72 84 8 73 78 8 73 82 8 74 75 8 74 83 8 75 78 8 77 86 8 79 94 8 80 89 8 82 83 8 85 95 8 86 89 8 94 97 8 95 97 8 96 99 8 $$$$