IFLAB-ZINC04496568 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.4310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.9590 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 1.1470 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.5180 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 1.5310 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 0.3600 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3030 0.8200 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 1.8350 -0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6710 2.9710 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 2.4260 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6810 1.7260 -1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4320 0.7830 -1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 2.7770 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4800 2.3510 -3.6460 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6420 3.6710 -4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7140 3.6940 -5.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8380 4.7290 -6.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8960 5.7430 -6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8270 5.7220 -5.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 4.6870 -4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0550 7.0420 -7.7600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -0.3100 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -0.1640 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 1.2530 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9740 -0.0300 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 3.6100 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 3.5430 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 1.8730 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 3.2540 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1270 2.8240 -3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0840 3.7460 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4500 2.9040 -5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6720 4.7480 -7.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 6.5140 -5.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 4.6690 -4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END