IBS-ZINC04794732 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -0.6320 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.0630 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -3.2360 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -4.7070 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -5.1420 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -6.5040 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -6.9180 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -8.2650 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -9.2030 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -8.7940 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -7.4480 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -10.6460 -0.0150 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1570 -11.0080 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -11.4730 -0.0280 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -5.0850 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -5.0950 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -4.4830 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 -6.1860 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -8.5880 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -9.5290 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -7.1300 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 3 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END