NIH-ZINC04388816 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -4.8650 -1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -4.8790 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -5.0080 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -6.4690 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -7.2720 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -8.5000 0.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -8.4530 -0.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -7.2270 -1.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -6.8430 2.5090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4490 -5.8100 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -6.9500 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -5.8200 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -5.9190 3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -7.1470 4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -8.2770 4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -8.1790 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -7.6330 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -8.6090 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -8.2780 4.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -8.3570 5.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -7.3800 4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -9.0960 5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -8.9370 6.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -9.7020 7.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -10.6800 6.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -10.8190 5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -10.0240 4.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -4.6130 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -4.6030 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -4.8610 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -5.0360 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 -7.2240 4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -9.2360 4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -9.0620 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -6.6180 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -7.8950 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -9.6270 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -8.5320 3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -9.3710 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -8.0950 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -7.4580 5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -6.3630 4.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -9.5670 8.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -11.3180 7.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 -11.5710 4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -7.7120 3.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 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 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 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 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 61 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 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 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 61 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 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 M END