NIH-ZINC04092282 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 0 0 0 0 0 0999 V2000 -0.3250 1.9440 -3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 0.4520 -4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.2950 -3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -1.7870 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -2.4850 -2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -3.8310 -2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -4.5700 -1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -5.9360 -1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -6.5700 -2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -5.8300 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -4.4640 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -7.9570 -3.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -8.8590 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -9.2200 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -8.7680 -3.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -10.0450 -1.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -10.3960 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -10.7870 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -12.2450 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -12.8230 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -11.6310 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -8.4600 -4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -7.7140 -5.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -9.9500 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -10.2530 -5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -11.7430 -6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -12.4890 -5.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -12.2460 -7.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -13.6140 -7.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -14.1110 -8.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -15.4700 -8.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -16.2880 -7.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -15.7260 -6.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -14.4270 -6.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 2.0880 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 2.3320 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 2.4770 -4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 0.0650 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 0.3100 -5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 0.0920 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.1520 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.1750 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -1.9300 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -4.0760 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -6.5110 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -6.3230 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -3.8890 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -9.7650 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -8.3640 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -10.4070 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -9.5540 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -10.7150 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -10.1350 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -12.7950 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -12.2740 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -13.1100 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -13.6700 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -11.5610 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -11.7330 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -10.4300 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -10.3320 -4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -9.7730 -6.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -9.8710 -5.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -11.6570 -7.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -13.4460 -9.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -15.8850 -9.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -17.3530 -8.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -16.3590 -5.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 64 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 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 33 2 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 M END