NIH-ZINC06498813 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.9620 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -2.5960 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -3.9820 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -4.6240 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 -3.8850 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -2.5040 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -1.8570 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3970 -4.5880 0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2740 -5.6180 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 -4.5580 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2190 -3.8680 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3840 -3.4660 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3310 -2.8500 0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 -3.8840 0.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -3.6710 2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3980 -2.3540 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -3.1530 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -0.7840 4.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0040 -3.6380 -2.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 -5.1030 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -5.7430 -2.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 -4.9860 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8300 -4.1920 -4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7810 -4.3800 -5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7220 -5.2620 -5.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5070 -5.5680 -5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3770 -5.6360 -4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1400 -6.5950 -3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8000 -3.7500 -7.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 -2.9840 -7.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8030 -4.0200 -8.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7570 -3.3600 -9.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -3.3080 -4.9840 C 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -4.5590 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 -5.7030 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -1.9290 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -0.7780 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1150 -3.6280 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 -4.4940 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 -2.3970 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 -1.5310 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -3.0950 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -4.1450 4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 -2.9720 5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -0.0540 3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 -0.6400 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -0.6530 5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -6.0900 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8680 -6.0430 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6590 -7.3230 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 -7.1120 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7770 -2.2800 -9.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8410 -3.6420 -9.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6190 -3.6640 -9.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -3.8810 -5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 -2.4670 -5.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -2.9350 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -2.1400 4.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 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 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 68 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 68 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 68 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 M END