IBS-ZINC02368993 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -5.2680 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -4.4660 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -4.8360 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -4.4790 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -5.2880 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -4.0740 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 -3.3090 -0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 -4.2410 1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -3.5000 1.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6070 -2.5110 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8060 -4.2570 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2410 -3.3600 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5920 -3.8320 3.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3920 -2.7090 2.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8590 -2.5730 4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1590 -1.8100 4.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3890 -2.3500 4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3100 -1.2790 4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5890 -0.1490 4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2870 -0.4780 4.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -4.9370 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -6.3290 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -3.4000 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -4.6980 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -5.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -3.4140 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -4.7220 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -6.3500 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -4.9690 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -4.8530 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7470 -3.7060 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4590 -4.3580 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9600 -5.2460 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9110 -2.3310 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0130 -3.5620 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1140 -2.0340 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6260 -3.3990 3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3870 -1.3530 4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9890 0.8520 4.3090 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 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 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 M END