NCID-ZINC05459788 MOE2007 3D CORINA 3.40 0006 02.08.2006 76 76 0 0 1 0 0 0 0 0999 V2000 0.7550 0.3610 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.9640 0.2550 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9750 -1.2980 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -1.6590 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 1.2660 0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 2.7230 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 3.4860 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 4.9980 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 5.8250 -0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4270 5.6680 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 7.3090 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 7.7100 1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 5.4360 1.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 5.5120 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 5.9240 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 5.0160 2.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6070 3.9740 2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 5.9300 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 6.1330 4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 6.0980 3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 5.0950 2.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0930 4.2760 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 3.3760 0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6180 4.4650 1.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8900 5.4940 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 3.4730 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7740 3.5080 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 2.4710 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8710 2.4080 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0730 4.1890 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1130 4.8560 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7170 5.7870 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5330 4.2750 -2.0070 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0610 3.3370 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3030 3.9790 -2.8910 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6640 4.8680 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6680 3.4870 -4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5340 2.9430 -2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 2.8940 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 0.9120 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 2.9710 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 2.9910 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 3.1370 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 3.2540 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 5.3240 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 5.1930 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 5.1640 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 6.9020 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 5.4850 4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 7.0640 4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 5.2980 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 7.0500 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8470 5.8460 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8720 3.6780 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9140 2.4540 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1540 3.2970 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1220 4.5100 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0950 2.7250 4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9270 1.4860 3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1670 2.1300 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3530 3.3510 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5760 3.4690 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 2.5880 -4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7650 3.2080 -4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1990 4.2500 -4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.7470 0.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 1.7270 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 0.0770 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 7.9240 -1.0410 O 0 5 0 0 0 0 0 0 0 0 0 0 15.4050 1.3660 4.0230 N 0 3 0 0 0 0 0 0 0 0 0 0 16.4260 1.2940 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0180 0.4350 3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1970 1.5810 5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4850 5.2100 -2.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2080 5.4380 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0060 6.0990 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 66 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 11 69 1 0 0 0 0 13 14 1 0 0 0 0 13 47 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 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 70 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 74 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 70 73 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 M CHG 1 2 1 M CHG 1 69 -1 M CHG 1 70 1 M END