IBS-ZINC02130264 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 0.3190 2.7990 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 2.3920 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 2.8630 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 2.4800 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 1.6380 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 1.2100 -3.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 1.5960 -2.2340 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0470 1.1940 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 0.4960 -5.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 2.9690 -2.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2680 3.5660 -3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0780 1.7900 -2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 1.3900 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 0.3120 -1.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1480 -0.1950 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 0.0810 -3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 0.9720 -3.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7430 2.0710 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 2.9640 -0.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6020 2.3390 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 3.8650 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 5.0120 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 3.6880 -0.3530 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2250 2.0810 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 2.8200 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 3.7900 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 0.5530 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 0.5340 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 2.0670 -4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 0.1800 -6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 -0.7100 -3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 2.6810 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 1.3240 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 1.2830 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 3.7840 -1.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 4.5470 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 3.3930 2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 4.0080 3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 7 1 M CHG 1 23 -1 M END