NIH-ZINC06498871 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 1.0180 0.9370 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 0.4980 2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 2.7990 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 3.2450 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 4.6910 2.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 5.5460 1.6050 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3900 5.1890 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 6.9170 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 6.8130 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 5.3730 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 4.9290 4.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 7.6870 4.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 8.0370 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 9.2300 2.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 8.0660 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 7.5130 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 7.4490 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 7.9420 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 8.5260 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 8.5900 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 7.7810 -2.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 8.2830 -3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 7.9910 -4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 8.9260 -5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 8.6440 -6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 7.4220 -6.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8730 6.4790 -6.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 6.7590 -5.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 5.4790 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 4.8960 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 4.8390 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 5.3060 -2.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 5.8750 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 5.9820 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -0.1390 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 1.2160 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 1.4780 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 0.8030 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.5600 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 0.6770 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 3.2740 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 3.0550 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 2.9020 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 2.8170 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 9.8970 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 7.1180 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 7.0010 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 8.9240 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 9.0250 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 9.3650 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 7.7910 -4.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8440 9.8780 -4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6360 9.3760 -6.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6630 7.2020 -7.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8890 5.5230 -7.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 6.0100 -5.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 4.5040 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 4.4020 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 6.2570 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 6.4530 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 1.3020 1.5720 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9900 1.0340 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 61 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 2 61 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 61 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END