OTAVA-ZINC05413600 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 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 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -1.8070 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.5590 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.3520 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -2.6590 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -3.1440 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -3.2400 -4.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -2.6150 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -2.4040 -1.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -2.6970 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 -3.1460 -2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 -2.4680 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 -2.8620 -0.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3630 -2.7400 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1430 -2.2440 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1990 -2.1250 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4740 -2.4990 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 -2.9920 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -3.1190 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8830 -3.6620 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9270 -1.5060 3.7060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -3.5540 -6.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -2.9470 -6.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1230 -1.8660 -6.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -3.2640 -5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -2.4550 -3.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -3.5450 -7.6780 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 0.5290 -0.3650 0.8850 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 3.3580 -2.0450 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 -1.4120 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -3.0640 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4520 -3.2080 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1490 -1.9520 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2980 -2.4040 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 -3.2820 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 -2.8420 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 -4.3640 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9870 -4.1750 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -3.1860 -6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -4.6410 -6.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -2.9970 -5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -4.3280 -4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -2.7980 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -1.3980 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -4.6250 -7.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -3.1110 -7.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -3.3240 -8.5070 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 24 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 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END