NIH-ZINC06530398 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.2260 1.3460 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.1710 -0.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1220 -0.5980 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -0.6530 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -2.5800 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -1.9970 -1.4120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2080 -2.4130 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.5690 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -2.3180 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -2.7040 2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -4.1950 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -4.9760 1.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -6.2450 2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -6.2720 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -4.9510 3.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -4.4410 3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -3.7410 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.3720 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -3.7020 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -2.4030 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -1.7750 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -2.4430 3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -1.5690 -0.1050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -7.4920 3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -7.5300 3.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -8.6320 2.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -8.6370 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -9.6940 1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -7.3910 1.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -7.3020 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -9.9370 3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 1.8120 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 1.6840 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 1.7130 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -0.2430 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.4040 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -3.6720 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -2.1950 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -3.3980 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -1.8920 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -1.8760 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.2460 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -2.3410 2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -5.2520 4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -3.7600 4.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -5.3950 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -4.2040 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -0.7690 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -1.9400 3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -6.7540 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -8.2900 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -6.7680 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -10.4730 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -10.5080 3.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -9.8680 3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.1650 1.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2860 -2.5690 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 56 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END