IBS-ZINC06760106 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 0.4980 -0.3750 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.5350 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -0.3460 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -1.2600 1.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -1.2600 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -1.8450 1.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.5420 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -1.9610 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -1.4200 4.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.1980 5.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -4.1770 4.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -3.4580 2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -4.3830 6.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -5.7830 6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -6.7820 5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -8.0660 5.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -8.3520 5.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -7.3540 6.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -6.0700 6.4730 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 -2.0880 -0.4040 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -1.8030 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -0.3640 4.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.5420 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -2.0650 5.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -1.8250 6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -5.2410 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -4.0340 4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -3.6120 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -3.8580 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -3.8920 7.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.4220 6.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -6.5580 5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -8.8460 5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -9.3560 5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -7.5770 6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -5.2910 6.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -3.6250 5.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 42 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END