IBS-ZINC00494956 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -0.6720 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -1.1160 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -1.3820 -3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -1.7750 -4.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.1540 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -0.7060 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.4920 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -0.7250 -3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -1.1730 -4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -1.3800 -4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -1.4180 -5.8580 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8200 -1.8110 -6.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -1.2260 -5.8390 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8840 -0.4560 -3.4680 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -1.3180 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -1.0950 -1.1010 O 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -0.4770 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -0.1440 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -1.7280 -5.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -1.7520 -3.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -1.8700 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 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 18 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 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END