NCID-ZINC05823980 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 70 0 0 1 0 0 0 0 0999 V2000 -0.1510 1.5700 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 0.0400 -0.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2900 -0.3270 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -0.4790 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -1.0940 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -0.2610 -1.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 0.2870 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -0.8520 -1.3930 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1130 -0.8250 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -0.0580 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 1.3340 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 1.6270 -0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 2.2520 -2.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -2.2820 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -2.7600 -2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -3.0290 -1.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 -2.6470 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -4.4190 -2.3230 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1050 -4.5080 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 -4.8400 -2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5900 -4.0160 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9580 -4.4300 -4.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5650 -5.2950 -3.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -5.3120 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -4.8350 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -6.6420 -1.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.4130 0.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.5920 0.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3330 0.1090 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -0.3410 1.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7060 0.6590 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -1.3790 2.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5090 -1.2640 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -2.6920 1.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -3.0000 0.7350 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 -2.9060 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -2.0260 -0.4030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6340 -2.2300 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -2.1860 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -4.4320 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -5.3470 1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -1.1860 3.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -0.4580 0.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 0.6180 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 1.6830 0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 0.4990 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.9460 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 1.9170 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 1.9380 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 0.0000 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -0.5550 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 2.0180 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 3.1480 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 -5.8980 -3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9350 -4.6670 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -2.9570 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 -4.1880 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 -7.0230 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -7.2170 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -3.0720 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -4.6370 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -4.5490 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -6.2760 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -1.8100 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -1.3090 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5490 0.2240 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9510 1.4540 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.2680 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5030 -3.8380 -5.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3820 -4.1370 -5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 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 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 2 0 0 0 0 22 69 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 37 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 43 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 42 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 40 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 60 1 0 0 0 0 40 41 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 41 63 1 0 0 0 0 42 64 1 0 0 0 0 43 44 1 0 0 0 0 43 65 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 66 1 0 0 0 0 46 67 1 0 0 0 0 46 68 1 0 0 0 0 69 70 1 0 0 0 0 M END