11979663 -OEChem-05102419352D 225237 0 1 0 0 0 0 0999 V2000 8.3312 8.3101 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.7106 8.4999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7303 22.4511 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 19.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2108 23.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8604 21.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9886 23.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9305 11.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 9.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8329 8.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3961 9.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 10.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8794 12.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 12.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 14.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 15.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0393 13.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7178 11.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 15.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2223 20.4164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6972 0.9440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7303 20.4511 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9982 19.4511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 10.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 10.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 11.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 13.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6546 13.4490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2108 19.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7008 18.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7007 18.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3284 20.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1972 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9292 1.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1284 20.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3284 21.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 4.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4624 20.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1972 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1284 21.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1972 5.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4651 5.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5963 20.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2223 22.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 22.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5963 21.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8643 20.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7303 19.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 20.4511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5991 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9925 22.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8643 18.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 20.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5963 18.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4651 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6613 10.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 9.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8671 10.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.2594 10.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2063 11.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9134 12.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 13.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 12.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3934 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 13.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 13.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3934 14.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2945 12.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 13.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 15.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 14.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6138 19.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 18.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5860 17.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8013 17.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2857 18.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6001 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6641 20.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1972 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5772 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1972 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0072 0.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4853 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1053 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 23.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6001 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2628 21.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 21.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9424 18.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3409 19.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 20.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 6.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 6.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 18.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2628 18.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 19.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4422 21.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 21.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8222 20.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2863 19.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0594 18.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 18.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3962 22.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 9.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 9.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6256 11.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9970 11.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4286 8.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8582 9.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9955 9.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1514 10.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8507 12.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 11.5139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 12.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 12.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 8.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 12.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5709 7.9289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9326 11.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 11.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 11.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 13.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 13.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 13.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0557 13.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 13.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 12.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 11.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 13.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 13.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 13.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 14.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 14.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 13.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 15.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6027 13.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 87 1 0 0 0 0 2 89 1 0 0 0 0 3 67 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 51 1 0 0 0 0 5 54 1 0 0 0 0 6 61 1 0 0 0 0 6 62 1 0 0 0 0 7 49 1 0 0 0 0 7154 1 0 0 0 0 8 57 1 0 0 0 0 8 76 1 0 0 0 0 9 56 1 0 0 0 0 9164 1 0 0 0 0 10 61 1 0 0 0 0 10 75 1 0 0 0 0 11 60 1 0 0 0 0 11166 1 0 0 0 0 12 64 2 0 0 0 0 13 71 1 0 0 0 0 13173 1 0 0 0 0 14 72 1 0 0 0 0 14174 1 0 0 0 0 15 72 2 0 0 0 0 16 77 1 0 0 0 0 16 83 1 0 0 0 0 17 78 1 0 0 0 0 17 85 1 0 0 0 0 18 84 2 0 0 0 0 19 86 2 0 0 0 0 95 20 1 1 0 0 0 20199 1 0 0 0 0 100 21 1 6 0 0 0 21201 1 0 0 0 0 22104 2 0 0 0 0 23106 2 0 0 0 0 24107 2 0 0 0 0 25110 2 0 0 0 0 26113 2 0 0 0 0 27119 1 0 0 0 0 27222 1 0 0 0 0 28121 1 0 0 0 0 28223 1 0 0 0 0 29123 1 0 0 0 0 29224 1 0 0 0 0 30123 2 0 0 0 0 31127 1 0 0 0 0 31225 1 0 0 0 0 32 44 1 0 0 0 0 32 48 1 0 0 0 0 32 53 1 0 0 0 0 33 47 1 0 0 0 0 33148 1 0 0 0 0 33149 1 0 0 0 0 34 63 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 73 1 0 0 0 0 35165 1 0 0 0 0 36 82 1 0 0 0 0 36 86 1 0 0 0 0 36178 1 0 0 0 0 37 84 1 0 0 0 0 37 92 1 0 0 0 0 37179 1 0 0 0 0 38 91 1 0 0 0 0 38106 1 0 0 0 0 38192 1 0 0 0 0 39102 1 0 0 0 0 39104 1 0 0 0 0 39195 1 0 0 0 0 40101 1 0 0 0 0 40113 1 0 0 0 0 40196 1 0 0 0 0 41107 1 0 0 0 0 41114 1 0 0 0 0 41202 1 0 0 0 0 112 42 1 1 0 0 0 42128 1 0 0 0 0 42208 1 0 0 0 0 43110 1 0 0 0 0 43209 1 0 0 0 0 43210 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44129 1 0 0 0 0 45 46 1 0 0 0 0 45130 1 0 0 0 0 45131 1 0 0 0 0 46132 1 0 0 0 0 46133 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 47 58 1 0 0 0 0 48 55 1 0 0 0 0 48 57 2 0 0 0 0 49 52 1 0 0 0 0 49134 1 0 0 0 0 50 51 1 0 0 0 0 50135 1 0 0 0 0 50136 1 0 0 0 0 51137 1 0 0 0 0 52 65 1 0 0 0 0 52138 1 0 0 0 0 53 59 2 0 0 0 0 53139 1 0 0 0 0 54 56 1 0 0 0 0 54 61 1 0 0 0 0 54140 1 0 0 0 0 55 64 1 0 0 0 0 55 66 2 0 0 0 0 56 60 1 0 0 0 0 56141 1 0 0 0 0 57 63 1 0 0 0 0 58142 1 0 0 0 0 58143 1 0 0 0 0 58144 1 0 0 0 0 59 64 1 0 0 0 0 59 72 1 0 0 0 0 60 62 1 0 0 0 0 60145 1 0 0 0 0 61146 1 0 0 0 0 62 71 1 0 0 0 0 62147 1 0 0 0 0 63 67 2 0 0 0 0 65150 1 0 0 0 0 65151 1 0 0 0 0 65152 1 0 0 0 0 66 67 1 0 0 0 0 66153 1 0 0 0 0 68 70 1 0 0 0 0 68155 1 0 0 0 0 68156 1 0 0 0 0 69 73 1 0 0 0 0 69157 1 0 0 0 0 69158 1 0 0 0 0 70 74 1 0 0 0 0 70159 1 0 0 0 0 71160 1 0 0 0 0 71161 1 0 0 0 0 73162 1 0 0 0 0 73163 1 0 0 0 0 74167 1 0 0 0 0 74168 1 0 0 0 0 74169 1 0 0 0 0 75 77 1 0 0 0 0 75 78 2 0 0 0 0 76170 1 0 0 0 0 76171 1 0 0 0 0 76172 1 0 0 0 0 77 79 2 0 0 0 0 78 80 1 0 0 0 0 79 81 1 0 0 0 0 79175 1 0 0 0 0 80 81 2 0 0 0 0 80176 1 0 0 0 0 81 82 1 0 0 0 0 82 84 1 0 0 0 0 82177 1 0 0 0 0 83 87 2 0 0 0 0 83 88 1 0 0 0 0 85 89 2 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 96 1 0 0 0 0 88 97 2 0 0 0 0 88180 1 0 0 0 0 89 98 1 0 0 0 0 90 99 2 0 0 0 0 90181 1 0 0 0 0 91103 1 1 0 0 0 91182 1 0 0 0 0 92104 1 0 0 0 0 92105 1 0 0 0 0 92183 1 1 0 0 0 93 95 1 0 0 0 0 93 96 2 0 0 0 0 93 97 1 0 0 0 0 94 98 2 0 0 0 0 94 99 1 0 0 0 0 94100 1 0 0 0 0 95101 1 0 0 0 0 95184 1 0 0 0 0 96185 1 0 0 0 0 97186 1 0 0 0 0 98188 1 0 0 0 0 99189 1 0 0 0 0 100102 1 0 0 0 0 100187 1 0 0 0 0 101106 1 0 0 0 0 101190 1 0 0 0 0 102107 1 0 0 0 0 102191 1 1 0 0 0 103110 1 0 0 0 0 103193 1 0 0 0 0 103194 1 0 0 0 0 105108 2 0 0 0 0 105109 1 0 0 0 0 108111 1 0 0 0 0 108197 1 0 0 0 0 109118 2 0 0 0 0 109198 1 0 0 0 0 111115 1 0 0 0 0 111119 2 0 0 0 0 112113 1 0 0 0 0 112116 1 0 0 0 0 112200 1 0 0 0 0 114117 1 0 0 0 0 114123 1 0 0 0 0 114203 1 0 0 0 0 115117 2 0 0 0 0 115121 1 0 0 0 0 116120 1 0 0 0 0 116204 1 0 0 0 0 116205 1 0 0 0 0 117122 1 0 0 0 0 118119 1 0 0 0 0 118206 1 0 0 0 0 120124 1 0 0 0 0 120125 1 0 0 0 0 120207 1 0 0 0 0 121126 2 0 0 0 0 122127 2 0 0 0 0 122211 1 0 0 0 0 124212 1 0 0 0 0 124213 1 0 0 0 0 124214 1 0 0 0 0 125215 1 0 0 0 0 125216 1 0 0 0 0 125217 1 0 0 0 0 126127 1 0 0 0 0 126218 1 0 0 0 0 128219 1 0 0 0 0 128220 1 0 0 0 0 128221 1 0 0 0 0 M END > 11979663 > 1 > 3610 > 34 > 21 > 17 > AAADcfB//wAGAAAAAAAAAAAAGAAAAAAAAAA8aNGDAAAAAACBVAAAHwIQCAAADb7xmC8yzoPABgCIAqXWWACCCAAlJUAIiIGPz8gfdz/P9/u3earn9hXf+cf//f/eqAADKAQaWABQAAZQCDSwAAAAAAAAAA== > (1S,2R,18R,22S,28R)-48-[3-(4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-22-(2-amino-2-oxo-ethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid > (1S,2R,18R,22S,28R)-48-[[3-[(4-amino-5-hydroxy-4,6-dimethyl-2-oxanyl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)-1-oxopentyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid > (1S,2R,18R,22S,28R)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid > (1S,2R,18R,22S,28R)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid > (1S,2R,18R,22S,28R)-48-[3-(4-azanyl-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-22-(2-azanyl-2-oxidanylidene-ethyl)-5,15-bis(chloranyl)-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-2,18,32,35,37-pentakis(oxidanyl)-20,23,26,42,44-pentakis(oxidanylidene)-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid > (1S,2R,18R,22S,28R)-48-[3-(4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-22-(2-amino-2-keto-ethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaketo-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carboxylic acid > InChI=1S/C66H75Cl2N9O24.C19H22FN3O4/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92;1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95);7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/t24?,34-,35+,42?,44?,46-,47?,48?,49?,50+,51-,52-,53?,54?,56?,57?,65?,66?;/m1./s1 > XTCNJBBIUPXIDR-UAPDQNBMSA-N > 1822.5896340 > C85H97Cl2FN12O28 > 1824.6 > CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O > CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H](C(C(=O)N[C@H](C(=O)NC5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O > 613 > 1822.5896340 > 0 > 128 > 6 > 13 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 61 10 3 102 191 5 105 108 8 105 109 8 108 111 8 109 118 8 60 11 3 111 119 8 114 203 3 115 117 8 115 121 8 117 122 8 118 119 8 121 126 8 122 127 8 126 127 8 95 20 5 100 21 6 32 48 8 32 53 8 47 33 3 101 40 3 112 42 5 48 55 8 48 57 8 51 5 3 54 5 3 52 65 3 53 59 8 55 64 8 55 66 8 57 63 8 59 64 8 62 71 3 63 67 8 66 67 8 49 7 3 70 74 3 75 77 8 75 78 8 77 79 8 78 80 8 79 81 8 80 81 8 82 177 3 83 87 8 83 88 8 85 89 8 85 90 8 87 96 8 88 97 8 89 98 8 56 9 3 90 99 8 91 103 5 92 183 5 93 96 8 93 97 8 94 98 8 94 99 8 $$$$