NIH-ZINC00630819 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1010 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0230 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -4.4260 0.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -4.8790 0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -4.7790 0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 -4.9080 -1.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -4.6550 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -5.4920 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -4.9860 -4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -5.7460 -5.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -7.0280 -5.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -7.5330 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -6.7600 -3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -7.8490 -7.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -7.4070 -8.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -9.0870 -7.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -9.9000 -8.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -11.2510 -8.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2520 -11.7680 -7.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -12.1110 -9.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -12.4120 -9.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -12.1760 -8.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -11.0530 -7.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0300 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -2.4300 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.6000 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -5.3580 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -3.6000 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -4.9170 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -3.9930 -4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -5.3500 -6.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -8.5240 -4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -7.1480 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -9.4390 -6.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -10.0590 -8.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -9.3840 -9.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -13.0360 -9.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -11.5540 -10.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -13.4450 -10.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -11.7210 -10.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -13.0520 -7.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -11.9270 -8.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 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 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END