NIH-ZINC04312949 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 67 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -5.2680 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -4.4660 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -4.8360 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -4.4790 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -5.2880 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -4.0740 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 -3.3090 -0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 -4.2410 1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 -5.1340 2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7290 -5.4440 2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -4.0850 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7910 -3.5600 1.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4300 -3.7910 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5780 -2.0710 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -1.6140 1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -1.2470 1.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4290 0.2010 1.5320 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4980 0.4040 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6050 0.8440 2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 2.3730 2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0720 2.4840 0.2820 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.2680 2.5660 -0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0490 3.4530 0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3640 0.8080 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -4.9370 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -6.3290 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -3.4000 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -4.6980 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -5.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -3.4140 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -4.7220 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -6.3500 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -4.9690 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 -6.0510 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -4.6280 2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1930 -6.2310 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7180 -5.7110 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5140 -4.2280 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2440 -3.4050 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5340 -1.6120 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5510 0.4750 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5330 0.6170 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4460 2.8640 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7000 2.7990 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 0.8670 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9570 0.2120 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 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 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 35 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M END