IFLAB-ZINC04123460 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 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 -0.7800 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1710 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.4080 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.5590 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.5080 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -3.2990 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1140 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7840 -1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.4480 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.3110 2.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3140 -1.1370 3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 0.1760 2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -0.3610 4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 0.0940 4.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 1.0770 3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 1.5670 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.1140 2.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 0.7820 2.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 1.0370 3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 0.2500 5.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 0.5140 6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 1.5610 6.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 2.3020 5.2070 C 0 0 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 0.0710 -3.4550 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -5.5150 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -5.4260 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.2700 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.1260 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -0.3070 5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 1.4550 3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 2.3320 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 1.3290 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.5570 4.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -0.0800 7.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 1.7940 7.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 3.1170 5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 2.0230 4.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 42 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END