IBS-ZINC01213818 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 66 0 0 1 0 0 0 0 0999 V2000 -1.8090 0.5510 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 0.1020 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 2.4850 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 3.0650 1.7870 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1530 2.7160 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 4.5910 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 4.9720 3.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 6.3040 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 7.3380 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 8.6700 2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 8.9690 4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 7.9550 4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 6.6270 4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 5.3900 5.6880 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 10.6660 4.4680 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 10.7100 5.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 11.4070 3.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 11.2020 3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 10.8070 4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0990 11.2350 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0100 12.0610 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 12.4570 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 12.0350 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 13.4870 0.4710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.0840 12.5250 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3980 12.2120 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3670 12.8770 1.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.1540 12.5450 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8350 12.6230 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9580 13.3610 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8890 14.0780 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1800 14.3080 1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 14.4490 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 2.5230 1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 3.0380 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -0.4720 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 0.5890 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 1.2010 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.0870 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -0.8920 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 0.4600 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 2.9890 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 2.5410 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 5.0050 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 4.9340 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 7.1450 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 9.4620 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 8.1860 5.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 10.1720 4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 10.9080 3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 12.3610 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5570 11.1280 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5340 12.6290 3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1940 11.6310 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9890 12.7700 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6050 12.4810 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0160 13.1700 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4550 14.2260 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5820 14.4210 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5460 13.2080 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3770 14.8960 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 1.0310 0.4160 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5210 1.0620 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6610 13.6850 0.7370 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.0100 14.5000 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 62 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 2 62 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 62 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 34 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 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 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 51 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 64 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 64 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 62 63 1 0 0 0 0 64 65 1 0 0 0 0 M CHG 1 62 1 M CHG 1 64 1 M END