IBS-ZINC02117987 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 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 3 0 0 0 0 0 0 0 0 0 0.7350 -0.4890 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -1.0130 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -1.3540 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -1.9170 3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -2.1060 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -1.7600 5.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.2000 4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.9950 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -0.4760 2.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -0.1460 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -1.1940 -0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7590 -2.2390 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -0.3120 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.4600 -1.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.0150 -2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.2350 -3.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -1.3830 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -1.1080 -1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.5060 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.3440 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -1.5320 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -0.7920 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 0.4970 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 0.8660 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 -0.0550 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 -1.3440 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 -1.7160 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -3.3370 -0.4630 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 4.3400 -2.1900 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.5390 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -1.9330 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -0.9340 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 0.7300 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.6250 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -0.8150 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -2.4460 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -2.0160 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -2.2330 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -0.6610 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 1.2160 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 1.8730 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8670 0.2340 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 -2.0630 0.1430 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 16 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 M END