NIH-ZINC04195813 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.9620 -1.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.6230 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -2.0040 -3.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -4.1300 -2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -4.6230 -3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -6.1530 -3.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5260 -6.5150 -2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -6.6380 -4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -7.3380 -5.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -6.2940 -4.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -6.7650 -5.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 -6.2360 -5.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 -6.7290 -7.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -6.6590 -3.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -8.0530 -2.8880 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -8.2540 -3.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -9.0140 -3.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -7.7410 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -7.2550 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -7.0100 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -7.2520 1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -7.7390 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -7.9880 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -6.9840 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.4570 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -4.4910 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -4.5070 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -4.2620 -4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -4.2460 -3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -5.7340 -4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -7.8550 -5.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -6.4030 -6.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 -5.1470 -5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 -6.5990 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 -7.8190 -7.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 -6.3660 -7.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 -6.3520 -6.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -6.1780 -4.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -7.0660 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -6.6300 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -7.9280 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -8.3720 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -7.8810 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -6.7100 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -6.1680 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END