IFLAB-ZINC04518716 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8230 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6720 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0410 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.5730 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -3.7400 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -2.3580 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.4580 3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -0.1490 3.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 0.6980 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 0.1750 5.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -1.2230 5.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.9930 4.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -1.4640 6.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -0.2800 7.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 -0.1400 8.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 0.7250 6.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 1.6720 6.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -2.7270 7.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 -3.3380 6.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -4.5820 7.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -5.2200 8.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -4.6160 8.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -3.3680 7.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -2.7750 8.3150 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 2.1620 3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 2.9210 4.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 2.6510 2.9040 N 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 -1.0200 -0.3810 0.0100 H 0 0 0 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 -0.2580 -2.2630 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -4.6990 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -5.6440 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -4.1590 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -2.8410 6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -5.0570 6.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 -6.1930 8.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -5.1170 9.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 2.0450 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 3.6100 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 M END