IBS-ZINC05206416 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.6840 1.3560 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.0020 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -0.4940 0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.7300 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -1.9920 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -2.6680 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -2.1010 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.8460 -3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -0.1610 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.7920 -4.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -2.1170 -6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.9040 -6.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -2.8700 -7.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -1.8740 -8.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -1.0130 -8.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -1.9100 -8.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -2.9050 -7.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -3.7670 -7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 -1.0480 -8.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 -1.8920 -8.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 -2.4730 -7.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 -3.2330 -7.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5330 -3.5030 -8.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6650 -4.3200 -8.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 -4.5660 -9.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9010 -4.0130 -10.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7860 -3.2040 -10.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 -2.9410 -9.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 -2.0810 -9.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -1.5620 -10.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 1.2420 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 1.8590 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 1.9510 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -2.4330 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -3.6420 -2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -0.4110 -4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 0.8140 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -3.7590 -4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -3.4830 -7.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -1.2350 -8.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -2.4180 -9.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -0.4680 -7.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.3040 -9.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -2.4540 -9.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -2.3610 -6.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -3.5440 -7.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -4.3110 -8.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -4.4760 -6.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -0.5730 -7.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -0.2820 -8.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -2.2930 -6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0130 -4.7560 -7.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2120 -5.1980 -9.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4400 -4.2190 -11.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4520 -2.7770 -11.4820 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 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 M END