IBS-ZINC04082064 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 0.2290 1.6690 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.1620 0.2770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0650 -0.0140 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -0.6040 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.2590 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -1.1650 3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -1.8440 3.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.3870 -1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1380 -0.2750 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -1.9070 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -2.1720 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -0.8730 -3.3990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4550 -0.8810 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 0.2230 -2.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2800 1.5360 -2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 1.8810 -4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 0.7380 -5.2990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1090 0.6260 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.6210 -4.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4780 -0.5390 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -1.7880 -5.6870 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8290 -2.6660 -5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -1.4630 -7.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -0.1360 -7.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3960 -0.2500 -7.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 1.0660 -6.6450 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1020 2.3330 -7.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 2.6030 -8.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 1.3950 -9.6540 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1090 1.5980 -10.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 0.1060 -9.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 1.2140 -10.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 1.1090 -9.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 1.3260 -6.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1840 -5.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -1.3930 -6.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 0.3930 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.9210 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.2390 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 2.0350 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.6830 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -0.4090 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 0.7630 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -0.3140 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -2.5040 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -2.2080 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -3.0260 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -2.4030 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 2.3790 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 1.4590 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 2.1630 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 2.7760 -4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -2.2710 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -1.4320 -6.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 3.2220 -6.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 2.2330 -7.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 2.9220 -8.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 3.4440 -9.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -0.7430 -9.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 0.1370 -8.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 2.2370 -5.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 1.4620 -7.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 0.5080 -5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 1.2050 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 0.6380 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -0.5100 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -1.1050 4.8730 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 67 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 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M CHG 1 67 -1 M END