NIH-ZINC04039903 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 -0.8110 -8.0020 6.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -7.7750 5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -7.0300 4.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -6.7500 3.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -7.0900 2.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -5.9840 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -5.4690 1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -4.7610 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -4.8440 3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -5.6090 3.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -5.8660 4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -4.2650 4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 -3.9870 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8650 -4.4500 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6280 -3.6380 -0.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7790 -2.6180 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9240 -4.3020 -0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9160 -5.4220 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8070 -6.2280 0.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5780 -5.4960 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 -6.4790 1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0920 -3.8260 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2370 -4.4970 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5480 -4.1020 -3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6980 -3.9130 -5.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6620 -4.4010 -6.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7850 -5.8240 -6.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7080 -6.4750 -6.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6890 -6.0990 -4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -3.6290 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 -2.4250 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 -2.4340 -3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 -3.6560 -4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -4.8420 -3.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 -4.8010 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -2.9820 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -5.6100 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -8.5680 6.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -7.0460 7.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -8.5490 6.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -7.2070 4.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -8.7390 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -5.0360 4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -3.8420 5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -3.4630 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9740 -4.0580 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0270 -2.7370 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4010 -4.2140 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1860 -5.5840 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4200 -4.5210 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6390 -3.0100 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5410 -2.8320 -5.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6370 -4.1890 -4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5010 -3.9710 -7.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7380 -4.0940 -7.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8530 -7.5540 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7610 -6.2170 -6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6190 -6.3930 -4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8280 -6.5520 -4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -1.4720 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 -1.5090 -4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -3.7150 -5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -5.7790 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0430 -7.0400 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -5.2130 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -5.0690 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -6.6640 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5760 -4.5840 -4.5440 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.6880 -4.2980 -4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 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 37 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 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 36 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 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 1 0 0 0 0 21 64 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 68 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 35 63 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END