IBS-ZINC04888343 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.8250 -2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.7920 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 2.2480 -2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 2.3230 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 2.6790 -2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 1.9380 -0.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 1.5760 0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6840 2.2160 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 0.1310 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.2490 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -1.5750 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -2.5220 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -2.1420 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -0.8150 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -3.9420 1.6360 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1800 -4.2770 2.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -4.7760 1.0130 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5460 1.8840 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 0.5020 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 0.4450 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0910 -0.9370 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3490 -0.9940 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9830 -2.3550 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4810 -3.1940 1.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 2.5300 -3.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 0.4900 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -1.8720 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -2.8820 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 -0.5180 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 2.0680 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 2.6450 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4590 0.3190 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -0.2590 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 0.6280 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 1.2060 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3610 -1.1200 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 -1.6980 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0800 -0.8100 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0550 -0.2330 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.6620 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1060 -2.6360 2.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4760 -3.5220 2.3550 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 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 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 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END