NIH-ZINC04257959 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 1.5700 1.6790 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 0.7500 -0.4350 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -0.1640 0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 1.6800 -1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.2230 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.4360 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -2.2190 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -1.7840 -3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.5690 -4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 0.2340 -3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.2960 -5.7580 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -1.7700 -5.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -2.4540 -4.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -2.0450 -7.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -3.1980 -7.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -4.1250 -6.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -3.2070 -9.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -3.4130 -10.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -3.3950 -10.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 -1.7320 -8.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 -1.7980 -8.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2140 -1.9870 -10.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 -0.5910 -10.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4450 -0.1850 -9.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9240 1.1200 -8.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7290 2.0310 -10.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.6370 -11.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5790 0.3330 -11.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 0.9890 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 2.2950 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 2.3180 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -1.7910 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -3.1660 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 1.1700 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.3540 -7.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -4.1630 -9.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -2.4080 -9.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 -2.6980 -11.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -4.4120 -10.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 -4.1680 -10.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 -3.5320 -11.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 -0.7210 -8.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 -2.4550 -8.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -1.6020 -7.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -0.9940 -9.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4640 -2.3880 -11.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6450 -2.6610 -9.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 -0.8780 -8.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4530 1.4290 -8.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1030 3.0470 -9.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9210 2.3490 -12.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0670 0.0470 -12.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -3.1070 -9.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 -2.0530 -10.2420 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3210 -1.3350 -10.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 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 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 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 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 53 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 54 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 53 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 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END