IFLAB-ZINC04553715 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2190 -0.5500 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.7210 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 1.9580 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.0290 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5700 -2.5820 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -2.3970 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -3.8340 1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -4.3890 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -3.6970 3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -5.8680 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -6.2360 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -7.7370 3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -8.0940 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -7.7250 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -6.2240 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -2.4510 -1.5150 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -1.6830 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -3.8580 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -1.8440 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -0.6210 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.3690 -4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -1.3880 -4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -2.7610 -3.6840 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.9480 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.5970 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 3.0240 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.8430 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -2.1430 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -4.3880 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -6.4210 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -5.6820 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -5.9820 4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -8.0000 4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -8.2910 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -7.5400 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 -9.1630 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -7.9790 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -8.2790 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -5.9620 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -5.6700 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 0.1170 -3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 0.5800 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.3730 -5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 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 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 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 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 M END