NIH-ZINC03046194 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 66 0 0 1 0 0 0 0 0999 V2000 1.3870 1.1370 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 0.5930 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -1.3770 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -2.4240 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 0.7990 3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 2.0280 3.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9580 2.6670 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 1.6380 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 2.8420 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 4.1370 4.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 4.3860 4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 3.5440 5.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 5.8250 4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 6.0370 5.2190 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1610 5.4250 6.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 7.5090 5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 8.3750 5.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 7.7750 6.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 6.7820 7.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 7.5440 7.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8500 8.9650 7.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7190 9.0620 6.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2030 10.3030 6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 11.4500 6.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9750 11.3470 7.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4890 10.0960 8.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 5.6040 4.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 4.4030 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 4.4530 2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 5.6420 2.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 6.3120 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 1.6210 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 1.8890 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 0.3460 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.3920 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -0.1290 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -1.7630 3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -1.1220 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -3.3800 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -2.5790 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -2.1510 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 1.0900 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 0.1710 4.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 1.0020 3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 2.5220 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 1.0970 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 2.2770 5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 3.0470 4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 4.8890 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 6.4200 5.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 6.1490 3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6260 6.1630 6.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5830 6.1320 7.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2420 7.3370 7.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 7.2890 8.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 10.4100 5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 12.4330 6.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4590 12.2490 8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3690 10.0150 8.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 3.6410 4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 3.6950 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 7.3010 2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -0.0980 2.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.4090 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 63 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 63 1 0 0 0 0 4 39 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 42 1 0 0 0 0 5 43 1 0 0 0 0 5 63 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 25 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 31 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 63 1 M END