IFLAB-ZINC04387649 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6180 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.0050 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -2.6310 2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4780 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1420 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -2.5400 4.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -1.7990 5.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -2.3660 6.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -3.7540 6.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -4.5000 5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -3.8650 4.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -6.2610 5.3690 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -6.6350 3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 -1.5830 7.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -0.1490 6.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 0.4660 8.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -0.5320 9.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -1.8850 8.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -2.5930 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -3.7090 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.1140 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 1.2210 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -4.2420 7.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -7.7150 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -6.2200 3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -6.1940 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 0.3330 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -0.0250 6.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 1.4550 8.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 0.5120 8.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -0.3280 9.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -0.5110 10.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -2.2490 8.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -2.6180 9.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END