OTAVA-ZINC06143543 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8110 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.6720 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -4.0220 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -4.5750 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -3.7050 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3260 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -4.6660 -3.8970 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -6.1470 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -5.8730 -1.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -7.4240 -3.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -8.6490 -2.8180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -8.6950 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -9.8250 -3.6750 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8450 -9.1660 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -7.6970 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -6.8570 -5.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -9.7220 -5.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -10.6780 -4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -10.1760 -4.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -12.1180 -4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -12.9130 -4.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -14.2620 -4.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -14.8310 -4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -14.0500 -4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -12.6990 -4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -16.5310 -5.0490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -8.6900 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -9.1810 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -9.2180 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -8.7650 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -8.2750 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -8.2420 -1.3010 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 -0.2480 -2.2660 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -4.6750 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -1.6590 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -10.4240 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -12.4700 -4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -14.8760 -5.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -14.5010 -4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -12.0910 -3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -9.5350 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -9.6010 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -8.7930 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 -7.9200 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -7.8620 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 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 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 21 22 2 0 0 0 0 21 23 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 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 2 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 M END