IFLAB-ZINC04134554 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.1250 1.5450 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.0970 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -0.5800 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 0.0220 0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -2.0520 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.7500 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.1250 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -4.8240 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -4.1500 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -2.7620 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -2.0820 0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -2.6540 0.7710 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -3.0050 2.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -1.7240 0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -4.1570 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -5.3480 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -6.5270 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 -6.5160 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 -5.3260 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -4.1450 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 -2.6480 -2.2890 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -7.8020 0.7440 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5130 -7.8120 1.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -8.8420 0.1720 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8730 1.9660 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.8360 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 1.9210 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -2.2110 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -4.6630 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -5.9030 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -4.7020 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -1.2710 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -5.3570 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 -7.4380 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 -5.3180 -3.1170 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END