IFLAB-ZINC04519610 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -1.8390 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -2.6150 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -2.3570 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -1.5810 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -3.6850 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -4.1920 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -5.7220 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0740 -6.0740 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 -6.2440 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -7.0160 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 -7.3730 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3870 -6.8910 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -5.9330 1.2870 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -6.3230 1.4850 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -6.0080 1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -6.0430 2.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -8.0780 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -8.7490 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -10.1260 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -10.8330 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 -10.1610 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 -8.7840 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -12.5620 0.9780 Cl 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 0.5120 -0.3560 -0.8950 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 -2.1180 0.1090 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -4.3050 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -3.8410 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -3.8310 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -7.3380 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4170 -7.9950 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3990 -7.0640 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -8.1970 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -10.6500 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -10.7120 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -8.2600 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 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 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END