IBS-ZINC02311997 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -2.6880 1.1790 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 0.0310 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -0.3120 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.7970 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -2.3040 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -3.0610 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -4.5070 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -5.2920 1.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 -5.7940 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -5.5550 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -6.6180 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -6.2080 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -6.9280 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5850 -8.0110 1.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 -8.4190 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -7.7640 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -8.3020 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -9.4360 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -10.0550 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -9.5450 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9190 -6.5950 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8390 -7.6140 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0870 -7.3260 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4470 -6.0060 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5610 -4.9770 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3120 -5.2690 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 1.8030 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 1.8210 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 0.8070 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 0.3780 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -0.5650 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.6140 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 0.7800 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.3630 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -1.8850 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -0.4950 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -2.2590 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -2.7830 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -2.5890 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -3.0330 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 -4.9780 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -4.5510 2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -5.4770 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -5.3500 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -7.8540 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -9.8350 3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -10.9410 3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -10.0480 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5810 -8.6560 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7740 -8.1330 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4160 -5.7790 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8450 -3.9450 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6570 -4.4360 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -0.8730 0.4120 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4300 -0.9020 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 48 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 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END