IBS-ZINC02419021 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.1310 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -0.6380 -1.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 0.1230 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -0.2800 -0.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -1.4850 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -2.3170 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -1.8630 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -2.5580 -2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 -3.5480 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 -3.3720 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 -2.1270 -1.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -1.5700 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2510 -0.7970 -1.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.3460 -1.4380 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6430 -0.3060 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5720 1.2320 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3990 1.4010 -2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4690 0.3650 -2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0310 -4.3270 -2.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6140 -5.4610 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 -6.4910 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0760 -7.6360 -3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 -7.8060 -3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -6.8320 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2420 -5.6340 -3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -4.6630 -2.7470 N 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 0.5120 -0.3560 -0.8950 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 0.7570 -1.6010 1.2360 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 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9560 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -0.5540 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 1.1000 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2390 -2.3800 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4010 -0.8960 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4170 -0.7220 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8280 -0.5730 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4990 1.6230 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3440 1.7120 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7400 1.2420 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9440 2.3850 -2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5700 -6.3750 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7770 -8.4240 -3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3980 -8.7250 -4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -6.9780 -3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 30 2 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 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 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 23 24 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 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 M END