IBS-ZINC04087900 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 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 -0.8660 -0.0200 -5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 1.0390 -4.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -0.1040 -6.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 1.0160 -6.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 0.8850 -7.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -0.3500 -8.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -1.4680 -7.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -1.3560 -6.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -2.4540 -6.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -2.3220 -5.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -3.3080 -4.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -3.7690 -6.9610 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 -2.3470 1.9800 -6.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 1.7510 -8.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -0.4390 -9.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -2.4270 -8.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -3.9030 -7.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -4.5470 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -3.8360 -7.3520 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 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 49 1 0 0 0 0 6 7 1 0 0 0 0 6 34 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 35 1 0 0 0 0 11 36 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 28 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 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 49 50 1 0 0 0 0 M END