IBS-ZINC04029345 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 1.7700 1.8580 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 0.4800 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -0.5130 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -0.1980 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -1.7820 -1.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.8540 -0.7920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5030 -3.4910 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -3.7260 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -4.0110 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.9180 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -5.8600 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -6.6110 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -6.4310 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -5.4990 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 -4.7560 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -3.7810 -3.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -3.4570 -3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -3.3310 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -2.2650 -2.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9230 -1.4840 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -2.7440 -3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -4.1010 -4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -4.5360 -5.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -3.6060 -5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -2.2570 -5.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -1.8360 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -0.5030 -4.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -0.0310 -3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -5.8850 -5.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -6.4030 -6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.4500 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.8650 1.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 2.2790 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.8130 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 2.5420 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 0.5860 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 0.0930 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -3.1990 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -4.6650 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -6.0050 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.3380 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 -7.0230 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 -5.3590 -3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -4.8600 -3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -3.8940 -6.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -1.5350 -5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 0.2430 -4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.7630 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 0.8710 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -7.4940 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -6.1560 -5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -6.0540 -7.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -1.8360 -0.3840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 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 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 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 44 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 45 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 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 M CHG 1 53 -1 M END