IFLAB-ZINC04496388 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.6330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.0960 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.9430 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -4.2360 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -4.4850 -0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -2.8100 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -2.2480 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -3.0410 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -4.2470 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 -2.4300 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3990 -3.7470 0.0820 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 -4.4390 -1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -4.4540 1.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9400 -2.8940 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5620 -2.5520 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7720 -1.8820 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3590 -1.5550 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7370 -1.8980 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5300 -2.5710 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.5600 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -5.0290 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 -1.2830 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 -1.8180 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -1.8070 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1040 -2.8070 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2570 -1.6140 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3030 -1.0320 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1960 -1.6420 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0460 -2.8420 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END