IBS-ZINC06427792 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.5070 1.4950 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -0.0010 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -0.7750 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -2.1650 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.8100 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.0260 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.6360 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.3160 0.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1710 -4.7490 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -4.7630 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -5.4850 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -5.6180 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -6.2020 -2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -4.9630 -0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -4.9390 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -4.0100 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -2.8820 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 -5.3580 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -5.9010 -2.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -4.5990 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -5.0880 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -3.9310 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -4.3150 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -3.2740 3.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -2.2640 2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -2.6120 1.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -1.7190 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -0.4660 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -0.0700 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -0.9330 3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -5.6290 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 1.9170 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 1.9110 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 1.8080 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -0.2990 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -2.7340 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -2.4820 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.0500 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -5.9690 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -4.6500 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -2.9730 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -4.2510 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 -2.9060 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -1.9760 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 -2.9460 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -6.1850 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -5.4710 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 -5.3020 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -4.9660 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -2.0700 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 0.2590 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 0.9470 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -0.6400 4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -6.4450 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -5.7050 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -5.7650 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 -4.0720 -1.5080 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7740 -4.0050 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 57 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 57 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 57 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 31 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END