IBS-ZINC02153133 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 0.0890 3.2980 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 1.9700 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 1.9240 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 0.7370 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.4210 1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -0.3900 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 0.7910 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 0.7470 -1.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 0.2870 -2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 1.1410 -4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 1.8570 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 1.0120 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 1.9360 -5.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 1.5260 -6.7450 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2480 1.7820 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 1.9980 -8.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5300 1.9110 -8.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 0.9070 -8.9310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3730 0.9730 -8.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 0.9830 -10.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 2.3600 -10.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 2.4680 -11.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 3.7600 -12.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 4.8490 -11.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 4.9510 -10.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1820 5.2280 -11.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 3.5870 -10.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9780 3.3830 -8.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5460 4.1380 -8.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 3.5260 -8.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 3.2740 -8.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 3.6310 -10.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 6.1340 -9.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.2830 -8.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 0.0290 -6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -0.7730 -6.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 3.4180 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 3.3970 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 4.1260 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 2.8250 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 0.7200 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -1.3510 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -1.3140 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.3320 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -0.7610 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.1660 -3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 0.6850 -4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 1.9000 -4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 2.8740 -3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 0.0500 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 1.5120 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.6260 -6.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 3.0120 -5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 0.1750 -10.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 0.8070 -10.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.5750 -12.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 3.6000 -12.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 4.0780 -13.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 4.6570 -10.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 5.8050 -11.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 2.7150 -10.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 4.4540 -9.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 3.7770 -11.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 7.0690 -10.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 6.2450 -9.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 6.0320 -8.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 1.2340 -4.5890 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4070 0.2530 -4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 10 67 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 11 67 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END