IFLAB-ZINC04291858 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -1.2100 2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.6430 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -0.3410 -2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -1.1640 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -1.2150 -2.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9000 -0.2420 -3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -1.6700 -2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -1.0550 -2.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 -2.7950 -3.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -3.4470 -3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -4.5680 -4.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 -5.1570 -4.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 -6.2720 -5.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -6.9400 -5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3940 -8.1040 -6.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -8.3750 -6.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3260 -7.3810 -5.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3620 -6.5190 -5.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -2.4990 -3.5300 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.7520 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -2.1660 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -0.5030 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 -3.1620 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -6.7000 -5.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -8.6990 -6.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2880 -9.2200 -6.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3740 -7.2940 -5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -0.1630 1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -0.5070 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 36 37 1 0 0 0 0 M END