IBS-ZINC02194717 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 0 0 0 0 0 0999 V2000 0.7730 0.5680 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 0.4930 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.1160 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -0.2590 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 0.3960 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -0.2750 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -1.6060 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -2.2830 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -1.6070 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -2.3340 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -3.2760 -0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 -1.9210 1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 -2.5250 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4280 -3.0160 2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 -1.3590 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -0.8950 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 -2.3010 5.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 -1.0880 6.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 -1.4290 7.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 -2.1840 8.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 -2.6010 8.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0850 -2.4630 9.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 -2.6790 10.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 -2.9410 12.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1430 -3.0070 12.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9380 -2.8110 11.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4650 -2.5410 9.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 1.1870 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 1.0130 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -0.4210 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 1.5260 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.1340 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.1560 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 0.4870 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 1.4340 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 0.2420 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -3.3290 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -2.1440 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9230 -1.7510 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 -3.3540 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4660 -3.3410 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 -3.8290 3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -2.1790 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -0.5220 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 -0.6070 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 -0.0110 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -2.9960 5.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4710 -2.8410 5.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -0.6020 6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3490 -0.3520 5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1120 -1.0690 7.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 -2.6410 10.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 -3.1120 12.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0030 -2.8860 11.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 -2.4260 9.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -1.8750 3.8140 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8300 -1.1160 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 56 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END