NIH-ZINC00251722 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 0.3890 1.1670 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.3390 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.0670 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -2.3540 2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -0.7270 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -0.4400 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 -2.4540 3.7580 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0440 -1.8280 4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -3.9040 4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -4.3850 5.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -5.7540 5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -6.3850 4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -5.2200 2.9190 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -2.2130 3.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1250 -1.1580 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -2.6110 4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4670 -3.0200 2.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 -2.6370 1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -1.6250 2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -3.4670 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3990 -2.8160 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0150 -3.7210 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 -1.4600 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 1.4550 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 1.4180 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 1.7020 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -0.6270 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.8740 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -2.7440 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.2150 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -1.6960 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -3.3930 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -0.5790 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -0.0500 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.5990 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -1.0970 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -3.7540 6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -6.2720 6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -7.4480 4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.3370 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -2.0920 5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 -3.6880 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 -3.8300 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -4.4700 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 -3.5280 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 -2.6740 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -3.8640 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9200 -3.2580 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 -4.6870 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6140 -0.8160 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 -0.9960 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3380 -1.6020 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -0.6770 0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -2.1160 2.4950 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 53 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 54 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 54 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 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 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 M END