IBS-ZINC05053771 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -1.9050 1.7620 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 0.2780 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.4870 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -1.8340 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -2.6360 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -4.0050 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -4.5790 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -3.7750 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -2.4070 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -5.9660 -0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -6.8100 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -6.2920 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -7.0720 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -8.4480 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -8.9550 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -8.1140 -0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -10.3190 -0.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -10.8310 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -11.9490 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -12.4520 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -11.8440 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -10.7300 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -10.2250 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -12.3960 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -9.3500 -0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7720 -9.8210 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -9.6200 -1.0530 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6530 -6.5220 0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 2.3460 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 1.9170 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 2.0820 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -0.0420 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 0.1240 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -2.1900 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.6290 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -4.2210 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -1.7820 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -6.3370 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -10.9180 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -12.4240 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -13.3220 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -10.2580 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -9.3580 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 -13.1370 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -11.5860 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 -12.8640 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -5.5620 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -7.0960 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 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 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END