IBS-ZINC04729911 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -2.5140 2.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -3.8610 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -4.3900 3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -5.7590 3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -6.6020 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -6.0780 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -4.7090 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -8.0960 2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -8.6140 3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -7.8470 4.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -9.9310 4.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -10.4350 4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -11.9510 4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -12.4780 5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -13.9940 5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -14.5200 6.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -16.0130 6.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -16.5970 6.3920 O 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -3.7310 4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -6.1710 4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -6.7390 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -4.3000 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -8.5670 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -8.3300 3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -10.5450 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -9.9640 5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -10.2010 4.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -12.4220 3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -12.1850 5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -12.0060 6.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -12.2430 5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -14.4650 4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -14.2280 6.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -14.0490 7.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -14.2860 6.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -16.6950 7.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -17.6520 7.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 49 50 1 0 0 0 0 M END