IBS-ZINC02234889 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 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 0.8020 -1.8250 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6690 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -4.0540 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -4.5820 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -3.7330 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -2.3540 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -1.5220 3.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -1.1420 4.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.2110 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -4.2460 3.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -5.6700 3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 -6.0570 5.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -4.9570 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -4.4960 -1.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -6.2920 -0.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -7.1170 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -6.4680 -2.6400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -8.4520 -1.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -9.3020 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -10.6110 -1.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -11.4490 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -10.9400 -3.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -9.5640 -4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -8.7830 -3.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -8.9660 -5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -12.9380 -2.6250 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 -0.2570 -2.2580 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -5.6510 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.6250 4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -2.0330 4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 0.0790 6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -0.7280 5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 0.6800 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -6.0880 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -6.0630 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -7.1430 5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -5.6390 4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -5.6640 5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -6.6590 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -8.8200 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -11.6010 -4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -8.8370 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -7.9980 -5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -9.6310 -6.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -13.3120 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -13.4260 -3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -13.1520 -2.0830 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 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 16 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 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 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END