IBS-ZINC05026577 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -0.6930 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -1.2210 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -1.4290 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -1.9360 -2.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 -2.1990 -3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -2.0360 -4.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -2.3850 -5.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 -2.7960 -4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 -2.6750 -3.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1300 -2.9960 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8470 -3.2200 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8190 -3.5840 -4.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 -3.2200 -6.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 -2.8210 -7.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8780 -2.8340 -8.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 -2.4070 -7.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 -1.9800 -7.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0900 -3.6620 -7.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9980 -2.4810 -7.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8860 -1.7340 -8.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7190 -0.6510 -9.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6640 -0.3130 -8.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7770 -1.0590 -7.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9470 -2.1470 -6.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9640 -0.6340 -5.8870 Cl 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 -1.9080 0.2560 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -1.4140 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -2.1710 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -0.5010 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -0.4800 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -2.1500 -3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 -2.0840 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6930 -2.1120 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8210 -3.8000 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -3.3130 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -2.8380 -8.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 -1.5580 -8.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 -1.2260 -7.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8200 -4.1010 -8.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6060 -4.4050 -6.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1470 -1.9980 -9.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6300 -0.0680 -10.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3140 0.5340 -8.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0380 -2.7320 -5.9720 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 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 55 1 0 0 0 0 M END