NIH-ZINC04101607 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 0 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 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8050 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -2.5560 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3060 -2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -3.7580 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -4.1020 -2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -3.2690 -4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -1.7810 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -1.4100 -3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -3.6200 -4.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -3.4310 -5.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -2.9700 -6.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 -3.7920 -5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -3.4810 -7.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 -4.2960 -8.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -5.7880 -7.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 -6.0990 -6.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -5.2840 -5.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 -6.6020 -8.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 -8.0290 -8.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -9.1600 -9.2100 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -10.4300 -8.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -8.7680 -8.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -9.0080 -10.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 -9.7450 -11.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 -9.6280 -13.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -8.7690 -13.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -8.0300 -12.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 -8.1560 -11.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -8.6510 -15.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -7.7480 -15.6460 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 0.5290 -0.3650 0.8850 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 1.1670 -4.2740 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -4.0640 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -3.8790 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -5.1620 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -3.4740 -4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -1.5800 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -1.1890 -4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -1.5290 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -0.3770 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -3.9880 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5630 -3.2110 -5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 -2.4180 -7.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3200 -3.7420 -7.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 -4.0340 -7.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 -4.0740 -9.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 -6.0490 -8.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 -5.8370 -6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -7.1620 -6.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 -5.5450 -5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 -5.5050 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 -6.4080 -8.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 -6.3160 -9.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -8.3120 -8.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -10.4130 -11.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 -10.2030 -13.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -7.3610 -13.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -7.5850 -10.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -7.7500 -16.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -8.0630 -15.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -6.7430 -15.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 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 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M END