IBS-ZINC06760578 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 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 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -5.0540 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -5.5180 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -5.5060 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -5.0800 1.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 -5.8730 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -5.7540 -2.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -5.3140 -3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -4.9710 -2.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -6.3340 -1.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 -6.6400 -2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 -7.0700 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -8.2430 -0.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 -7.9380 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -7.5070 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8770 -8.7050 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9410 -9.7620 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1090 -10.2290 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2720 -9.5990 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1680 -8.4970 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9690 -8.0780 -0.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4060 -7.7810 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1740 -11.4310 1.5730 C 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 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -5.8040 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -5.2340 -4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4910 -5.7520 -2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 -7.4470 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2340 -6.2530 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4050 -7.3250 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -7.1300 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 -8.8250 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -8.3240 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -7.2520 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2390 -9.9600 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6630 -6.9910 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2190 -7.3440 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2320 -8.4890 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1480 -11.1040 2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0990 -11.9770 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3220 -12.0820 1.3750 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 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END