IBS-ZINC02153963 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -1.9570 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -2.5890 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -3.9730 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -4.6180 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -3.8790 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -2.4880 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -1.8510 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -4.5660 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -5.7760 -0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5140 -3.8520 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 -4.5340 -0.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7650 -5.3930 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8930 -3.5660 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6280 -3.1950 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9660 -2.1120 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9250 -2.1100 -3.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4990 -1.4280 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5760 -3.2200 -4.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0400 -3.9520 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7410 -5.1430 -3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9690 -5.5950 -4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5100 -4.8790 -5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8230 -3.6960 -5.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1410 -5.0000 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 -4.7850 2.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2900 -5.6550 1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5420 -6.0750 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -4.5430 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -5.6930 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 -1.9130 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -0.7760 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 -2.8860 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8690 -4.0450 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8780 -2.6670 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5310 -1.3540 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1000 -5.7060 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5110 -6.5170 -4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6990 -5.2480 -6.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4690 -3.1470 -6.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7500 -6.7480 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5660 -5.2000 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5010 -6.5910 3.0030 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 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 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 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 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 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END