IFLAB-ZINC02685054 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 3.8730 -2.7490 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -2.8910 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -1.9550 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -1.9620 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -0.9730 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 0.0430 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 0.0840 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -0.9270 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -0.7730 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -1.7150 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 0.4290 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 0.9220 0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 0.8960 -0.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -3.2150 -0.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -2.9040 -0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -4.4560 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -3.0430 1.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -1.8220 1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -2.0650 3.1680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4270 -2.3380 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -0.8100 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 0.0780 4.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 1.2290 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.4940 4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 0.6080 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -0.5420 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 2.7270 4.6810 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4190 3.5080 5.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 2.9610 4.2190 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0710 -3.1260 2.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 -3.4700 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -3.7090 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.9800 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 0.7970 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -1.6500 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 1.6820 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -3.7500 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -1.0130 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -1.5500 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -0.1290 4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 1.9220 5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 0.8140 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -1.2330 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -2.9520 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 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 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 44 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END