NCID-ZINC05022547 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 77 0 0 1 0 0 0 0 0999 V2000 0.4330 1.1770 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.1670 0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -0.9090 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -0.2170 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 1.1670 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 1.9300 0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 1.5710 0.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 0.4390 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -0.6600 0.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 2.9390 0.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6110 3.5880 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 3.3940 2.2930 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2670 2.5460 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 4.4010 1.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5830 4.5700 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 3.7690 0.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2870 3.0130 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 3.0380 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2220 4.7570 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 4.0370 -1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 3.3910 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 5.6610 1.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 5.5510 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 4.0470 2.8840 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3660 -2.2900 0.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.9600 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -4.4690 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -5.1990 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -6.7080 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -7.3790 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -8.7580 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -9.4470 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -10.8300 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -11.5970 0.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -10.8440 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -9.5010 0.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -11.2330 -0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -10.1040 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 -9.0050 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -12.6000 -0.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4670 -13.1700 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 -13.3250 -1.5780 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2480 -13.8000 -1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 -14.4240 -1.2170 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7190 -15.2940 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -13.8060 -0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2730 -14.5190 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 -12.6690 0.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5090 -13.3310 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2520 -12.8450 0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6320 -12.2520 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 -14.8400 -2.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 -14.0530 -2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7630 -12.5920 -2.5510 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4810 1.7210 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 0.4820 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 5.4160 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 5.3660 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -2.7840 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -2.6230 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -2.7200 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -4.8130 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -4.7150 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -4.8530 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -4.9570 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -7.0500 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -6.9440 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -6.8860 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -11.3880 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 -10.1540 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4320 -12.5060 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0850 -14.1440 -1.0610 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 55 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 25 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 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 56 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 39 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 2 0 0 0 0 38 70 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 48 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 54 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 52 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 49 71 1 0 0 0 0 49 72 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 54 -1 M END