IFLAB-ZINC04272396 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -1.9020 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.2930 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -3.8180 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -4.1920 3.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -5.4930 4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -6.3540 3.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -5.8740 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -5.0120 6.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -7.2850 5.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -8.3760 4.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -9.5100 5.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -9.2280 6.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -7.8320 6.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 -7.2600 7.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4110 -8.0720 8.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -9.4510 8.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -10.0300 7.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -10.8600 5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -11.3910 5.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -10.7090 6.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -12.6240 5.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -13.1040 6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -13.8240 7.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -15.1090 7.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -14.9860 6.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -14.9000 4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -13.4260 4.4160 C 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 -0.2370 -2.3180 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -2.2920 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -1.8760 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.9020 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.2340 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -4.2090 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -3.5040 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -8.3260 4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 -6.1860 8.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 -7.6310 9.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -10.0780 9.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -11.1060 7.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -10.8270 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -11.5130 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -12.2620 6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -13.8020 5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -13.1930 7.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -14.0020 7.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -15.6220 8.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -15.7190 6.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -14.0860 6.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -15.8600 6.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -15.3670 4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -15.4250 4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -13.3800 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -13.0020 4.3080 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 21 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 44 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 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 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 M END