IFLAB-ZINC02966515 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5030 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.7100 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -2.0890 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -2.0550 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6760 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.1450 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0390 -4.8900 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -4.1420 -2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -4.3760 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -5.9340 -3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -6.6680 -3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -7.2280 -1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -6.1820 -0.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -6.4120 0.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1920 -4.9740 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -7.1400 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -6.9680 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -7.6340 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -8.4760 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -8.6500 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -7.9750 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -9.4760 3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -9.6060 4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -9.1330 1.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 -8.9070 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -7.1260 1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 1.8620 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 1.8810 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.8560 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.1790 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -2.6390 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -2.5790 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -0.1190 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -4.4690 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -3.0760 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -3.9510 -4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -3.9370 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -6.1840 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -6.2690 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -5.9760 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -7.4770 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -7.8500 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -7.8490 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -4.7790 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -4.8010 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -6.3120 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -7.4980 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -8.1040 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -10.2920 5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -8.6300 4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -9.9940 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -9.2120 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -7.8480 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9080 -9.4890 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -7.3010 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 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 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 M CHG 1 8 1 M END