NIH-ZINC04035413 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 0 0 0 0 0 0999 V2000 -0.7430 -0.3260 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -1.4560 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -3.1150 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -3.4590 -2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -2.3700 -3.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -1.0020 -2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.6790 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -2.7050 -4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -2.1280 -5.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -1.2610 -5.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.7180 -6.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -1.0410 -8.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -1.9170 -8.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -2.4770 -6.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -3.3880 -6.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -3.9510 -5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -3.8570 -7.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -4.9360 -8.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 -3.0710 -8.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -1.7940 -7.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -0.6850 -8.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 -1.1670 -10.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -2.4390 -10.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 -3.5250 -9.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 -0.4290 -10.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 0.9630 -10.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.7440 -11.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 1.1500 -11.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 -0.2210 -11.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -0.9920 -11.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9650 -2.3340 -10.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 -2.5540 -9.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.5330 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 0.6290 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -0.2040 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -2.3680 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -1.2250 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -3.0620 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -3.8570 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -3.6480 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -4.3910 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -0.8910 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -0.2580 -3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 0.2780 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -0.6400 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -1.0170 -4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -0.0560 -6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.6290 -9.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -2.1720 -8.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 -4.6950 -5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 -1.4590 -6.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 -1.9880 -7.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -0.3790 -9.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 0.1850 -8.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 -2.2770 -11.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 -2.7830 -11.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 -3.7750 -9.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -4.4360 -9.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 1.4570 -10.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 2.8140 -11.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 1.7520 -12.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5760 -0.6940 -12.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7810 -3.6340 -9.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6420 -2.0910 -9.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0700 -2.1880 -8.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -1.7510 -0.7330 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9650 -1.8020 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 -3.6290 -4.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 66 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 66 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 7 66 1 0 0 0 0 8 9 1 0 0 0 0 8 68 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 50 1 0 0 0 0 16 68 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 24 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 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 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END