NIH-ZINC06551001 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 2.3980 -0.7160 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -2.1490 2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -2.4340 1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -3.7460 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -4.7800 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -4.4900 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -3.1750 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -6.1100 1.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -6.4360 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -5.5950 -0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -7.8430 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -7.9630 -1.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -7.7100 -2.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -9.7000 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -9.9630 -3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -9.0480 -4.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -11.2140 -3.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -12.3170 -3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -13.6630 -3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -14.4630 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -13.3790 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -12.3460 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -11.4720 -5.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7500 -10.5390 -5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -12.0510 -6.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -12.4570 -5.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -12.4420 -4.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -13.3540 -6.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -14.3110 -6.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -15.5510 -7.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -16.5510 -7.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -15.9040 -8.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -14.6640 -7.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -13.6640 -7.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -0.3920 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -0.6350 3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -0.0850 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -1.6300 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -3.9680 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -5.2910 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -2.9490 4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -6.7980 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -8.5330 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -8.1000 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -10.3440 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -9.9100 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -12.2030 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -13.4960 -4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -14.2020 -3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -15.0260 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -15.1310 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -12.9280 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -13.7970 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -12.6730 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -11.3640 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -13.0350 -5.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -12.1410 -7.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -11.3890 -5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -13.3660 -7.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -14.6010 -5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -15.2610 -8.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -16.0120 -6.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -17.4340 -8.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -16.8410 -6.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -15.6140 -9.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -16.6160 -8.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -14.2030 -8.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -14.9540 -6.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 -12.7810 -6.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -13.3740 -8.3830 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 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 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 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 59 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 M END