IBS-ZINC01800422 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0790 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.8290 -2.5140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5850 -2.2910 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -2.9630 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -4.1120 -3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -3.8590 -3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -4.6600 -4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 -4.0730 -4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -2.7500 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.9340 -3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.5020 -3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -1.9950 -3.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -1.0850 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -5.3790 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -5.0140 -3.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7030 -4.4640 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -6.2740 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -6.6390 -2.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8290 2.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0660 -2.2240 3.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.0470 2.4610 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.8520 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -5.6930 -4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 -4.6620 -5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 -2.3400 -4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 -0.9030 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -5.8220 -4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -6.0840 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0080 -2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -4.1770 -2.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -4.6180 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -6.9910 -4.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -7.7920 -4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 0.2020 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END