IBS-ZINC06662667 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -1.7340 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.4150 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -2.2560 -0.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6950 -1.5890 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -2.3220 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -3.5960 -1.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -4.0610 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -3.3700 -1.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -5.4400 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -5.7180 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -7.1070 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -8.0940 -2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -7.8740 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -6.4770 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 -9.4280 -2.1010 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -9.8540 -0.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 -9.0950 -2.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 -10.7040 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -11.5680 -2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -12.5690 -3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -12.7070 -4.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -11.8400 -5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2760 -10.8440 -4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -13.6910 -5.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -13.7740 -7.0600 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 0.5120 -0.3560 -0.8950 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.0330 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -2.9890 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -1.3250 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -2.6990 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -4.1490 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -5.4980 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -5.6840 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9000 -4.9650 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6850 -7.3510 -3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 -7.1150 -4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -8.6250 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -7.9450 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -6.2640 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -6.4360 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -11.4590 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -13.2430 -3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3920 -11.9450 -6.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 -10.1710 -4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 -13.9450 -6.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 -12.8420 -7.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -14.6000 -7.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 19 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 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 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 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END