NIH-ZINC04039239 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 65 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8220 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.5640 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -2.3790 2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -3.7050 2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -3.7930 3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -2.4950 4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.6520 3.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -0.6840 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -2.0980 5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -5.0260 4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -5.3670 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 -4.5930 4.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3760 -3.6020 4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -5.3520 4.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 -6.4540 5.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 -7.2900 5.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 -6.4970 5.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -7.3660 5.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 -4.9720 4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -4.1090 5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9380 -3.7120 4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7210 -3.6580 7.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7990 -2.2880 5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -4.4720 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -3.2940 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -3.2280 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -4.3320 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 -5.4360 0.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -5.5320 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -5.8250 5.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -4.8590 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -1.9870 5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -1.1510 6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -2.8680 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -5.8700 3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8680 -4.4060 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9140 -3.2110 5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 -4.6740 6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5410 -4.6090 4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 -3.1460 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3850 -4.5000 6.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 -4.0290 7.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1630 -3.0210 7.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6180 -1.6620 4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5010 -3.0800 5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2170 -1.6790 6.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 -2.4480 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -2.3260 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -4.2890 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -6.4520 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -6.6120 5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -5.1230 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -5.7170 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -4.5720 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 -2.8830 5.7780 N 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 63 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 63 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 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 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END