NIH-ZINC06498813 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 0.4090 0.2730 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -1.2270 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -1.4730 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.8740 0.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -3.2660 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -4.6120 2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -5.0070 3.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -4.0640 4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -2.7220 4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -2.3210 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -4.4980 5.8130 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7800 -5.5510 5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -4.2700 6.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -3.4000 7.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -3.0370 7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -2.2730 7.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -3.6790 6.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 -3.5770 5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -2.4380 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 -3.5290 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 -1.1140 2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -2.9340 8.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -4.8740 7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -4.4340 6.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -6.0140 7.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -6.6810 8.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -7.6690 9.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -7.6260 9.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -8.2200 10.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -6.6370 8.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -6.2650 8.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -8.6140 9.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -8.5550 9.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -9.5480 10.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -10.4500 10.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -6.3620 7.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 0.7980 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.4490 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 0.6420 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -1.7520 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -1.5960 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -0.9490 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -1.1040 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -5.3490 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -6.0540 3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -1.9880 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -1.2730 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 -3.3760 6.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 -4.5150 4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 -2.6400 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -1.5010 4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 -3.6310 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -4.4120 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 -3.4270 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 -0.2430 3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -1.1290 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9860 -1.0640 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -2.3180 9.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -5.4580 9.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -7.1320 9.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -5.9350 7.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -9.8750 11.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -11.0030 10.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -11.1490 11.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -6.9360 6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -6.6210 8.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -5.2970 7.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 -2.3370 3.6060 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 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 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 22 58 1 0 0 0 0 23 24 2 0 0 0 0 23 25 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