IBS-ZINC04090409 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 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 3 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 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -1.1840 1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.6080 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.3360 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0940 -3.5980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1190 -2.0890 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -0.1330 -3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -0.6820 -5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -0.3540 -6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -0.8580 -7.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -1.6890 -7.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -2.0160 -5.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -1.5090 -4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -1.1500 -4.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -2.2400 -4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -3.1760 -4.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -2.2920 -5.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -1.1720 -6.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -0.9420 -7.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 0.1720 -7.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -1.9560 -7.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -3.2390 -6.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -3.4180 -6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -4.6790 -5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -5.7700 -5.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -5.6020 -6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -4.3350 -6.9150 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 1.6320 -0.6950 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 0.8390 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -0.0220 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 0.2950 -6.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -0.6020 -8.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -2.0840 -8.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -2.6660 -5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -1.7620 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -0.4030 -5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -0.2720 -6.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -1.4140 -7.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -1.7950 -7.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -4.8120 -5.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -6.7560 -5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -6.4580 -6.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -4.2070 -7.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.1920 2.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.5350 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 51 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 51 52 1 0 0 0 0 M END