IBS-ZINC04954989 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 0.9850 -1.4660 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -1.5070 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 0.0780 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 0.5880 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -0.0370 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 1.4320 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 1.5750 2.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 1.7820 4.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6470 2.7590 4.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 1.8560 4.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 1.7180 4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 1.5320 2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 1.3530 1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 1.7110 4.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 1.9330 6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 1.1200 7.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 2.9540 7.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 2.6070 8.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 3.5460 8.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 4.8430 8.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 5.1830 7.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 4.2450 6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 5.8430 8.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 0.6900 4.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 0.9790 4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -0.0160 4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -1.3250 5.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -1.6170 5.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -0.6230 4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -2.3850 5.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -2.4170 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -0.6710 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -1.3030 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -1.6980 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -2.2820 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 0.8320 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -0.8600 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 1.5150 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -0.1410 -2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 0.8000 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -0.5960 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -0.5230 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 1.8890 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 2.0050 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 1.5540 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 1.6050 8.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 3.2600 9.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 6.1870 6.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 4.5510 5.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 5.7660 8.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 6.8630 8.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 5.6730 10.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 1.9870 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 0.2380 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -2.6230 5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -0.8900 4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -2.4050 6.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -3.3720 5.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -2.1980 5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.1670 -0.1440 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3030 0.5610 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 60 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END