NCID-ZINC05327891 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 68 0 0 1 0 0 0 0 0999 V2000 0.2120 0.8140 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 0.8940 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 1.4020 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 2.0340 3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 1.1540 2.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 1.6470 4.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7200 1.6120 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 3.0900 3.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 3.1200 2.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 0.7820 4.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 -0.1540 3.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 1.0500 5.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5170 0.2090 5.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3060 -0.8230 5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7450 0.7040 5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0910 2.0150 5.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 0.2840 7.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 0.9710 8.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8050 -0.4140 7.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0650 -0.3410 9.3560 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7920 0.6470 9.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2340 -1.4060 10.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3900 -1.3190 11.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6790 -2.7930 9.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.1320 -3.5580 10.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1800 -2.9540 9.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.3750 -2.8910 10.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8910 -1.9150 9.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5510 -0.5950 9.6210 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.7510 -0.5010 10.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3760 0.4130 8.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1120 0.0480 7.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2960 1.7220 9.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6240 -4.2570 9.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1490 -4.3580 8.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5560 -5.5670 7.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4240 -6.6910 8.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9070 -6.5440 9.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5060 -5.3490 10.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0290 -5.2410 11.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8300 -7.9320 8.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4140 -2.9300 8.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -1.2180 9.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.2740 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 1.1230 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 1.2370 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -0.1930 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 1.3180 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 0.6480 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 3.4870 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 3.6980 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 4.0060 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 1.7990 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5210 0.7340 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5810 0.0260 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8640 2.3920 5.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 -0.9640 7.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7070 2.0140 9.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8270 2.3710 8.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2400 -3.4820 7.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9760 -5.6700 6.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2080 -8.0350 7.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7380 -8.7030 8.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7110 -3.7690 7.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -1.8580 10.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 1.2930 1.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.9670 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 66 1 0 0 0 0 2 3 1 0 0 0 0 2 47 1 0 0 0 0 2 48 1 0 0 0 0 2 66 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 52 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 2 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 61 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 42 64 1 0 0 0 0 43 65 1 0 0 0 0 66 67 1 0 0 0 0 M END