IFLAB-ZINC04519609 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 -4.0570 -6.0830 0.8980 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 -6.5220 -7.0260 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -7.3800 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3950 -6.8850 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2120 -5.9080 -1.2020 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -6.3070 -1.4770 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -5.9140 -2.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -6.0960 -1.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -8.0590 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -8.6580 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -10.0320 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 -10.8080 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -10.2080 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -8.8340 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -12.5340 -1.3000 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 -5.9570 -7.3580 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 -8.0100 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4130 -7.0550 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -8.0520 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0060 -10.5000 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -10.8140 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -8.3660 -0.3340 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