IFLAB-ZINC04120679 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0080 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0030 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.6780 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0280 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4100 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 2.1660 -0.0240 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7210 1.5700 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 3.3840 -0.0180 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2340 -2.1850 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.7810 -1.7300 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -4.5200 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -5.0400 -0.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -6.5060 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -6.7880 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -5.4420 -2.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -5.1610 -3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -4.0090 -4.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -6.2440 -4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -6.0940 -6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -7.3840 -6.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -8.2550 -5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -7.5640 -4.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 1.9080 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.5540 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -0.5000 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 3.1660 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.5400 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -2.5620 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -6.9060 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -6.9290 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -7.3250 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -7.3480 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -5.1620 -6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -7.6340 -7.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -9.3310 -5.7150 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END