IFLAB-ZINC04134540 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 0.1460 0.5560 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.6740 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -1.0710 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.2520 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 0.9960 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 1.3940 -1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -0.7300 0.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8160 -1.8060 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 0.0130 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -0.3330 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -1.5530 2.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -0.5280 -0.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -1.6970 -1.8880 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5550 -1.1340 -2.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 -2.9630 -1.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -1.8340 -2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -0.8430 -3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -0.9100 -4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -1.9660 -4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -2.9540 -3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -2.9160 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -4.0530 -3.4260 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1740 -3.8620 -2.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -5.1080 -4.0130 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3910 -1.9930 -5.5650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 0.8660 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -1.3250 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.0280 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 1.6700 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.3610 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -0.2770 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 1.0990 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 0.4140 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 -0.0070 -4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -0.1230 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -3.6900 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 0.6520 3.2220 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 37 -1 M END