NCID-ZINC06002221 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 70 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2060 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0230 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0910 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.4510 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 2.1100 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -0.8430 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -2.5830 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -3.4800 -0.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2680 -3.2810 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -4.9250 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -5.6510 -0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -5.4120 0.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -6.8170 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -7.1040 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -6.2250 2.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -3.2000 -1.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 -3.4560 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3130 -3.9170 -0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 -3.1690 -2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 -3.5460 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 -3.2550 -3.5160 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7380 -2.2130 -3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3310 -3.5100 -3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8450 -4.5440 -3.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.7730 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -1.0260 -1.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8080 -0.0770 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -1.6850 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -2.7750 -1.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -1.9010 -2.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -2.5020 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -1.8700 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -1.1180 -4.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.7700 -4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -2.5390 -5.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7630 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 3.8400 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 2.3160 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -2.7910 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -2.7820 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -4.8320 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -7.0160 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -7.4560 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -2.8320 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 -3.7540 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5230 -2.1070 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 -2.9620 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 -4.6080 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9130 -3.9120 -5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.7260 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.1960 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -2.5460 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -3.8110 -3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -2.7640 -5.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -1.4990 -5.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -4.3840 -6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -8.3370 2.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0590 -2.5890 -2.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4280 -4.1300 -4.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 -5.1020 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -1.0630 -0.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -3.4170 -6.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -3.2830 -7.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -1.5250 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 -2.7980 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -8.4730 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 61 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 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 26 1 0 0 0 0 24 63 1 0 0 0 0 26 27 2 0 0 0 0 26 62 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 66 1 0 0 0 0 53 63 1 0 0 0 0 60 66 1 0 0 0 0 61 70 1 0 0 0 0 62 69 1 0 0 0 0 63 64 1 0 0 0 0 65 68 1 0 0 0 0 66 67 1 0 0 0 0 M END