NCID-ZINC05648956 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7130 -0.4910 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.5120 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -0.0400 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 1.1260 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 2.1590 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 3.2180 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 3.2800 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 2.2830 3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 1.1870 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -0.0210 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.7100 2.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 4.3120 -0.0950 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7160 4.2660 -1.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 5.2600 0.2690 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 0.0290 -1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.6050 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -1.8100 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -2.1740 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 -1.3570 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 -0.1710 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 0.2240 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 1.3910 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 1.2360 -1.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -3.4560 1.1540 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7870 -4.1780 1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 -3.7880 1.5410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8420 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8260 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8160 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.1390 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -1.5810 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.1130 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -0.1520 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -1.6020 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 2.1230 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 4.1250 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 2.3380 4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -0.2970 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -1.5680 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.1170 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -2.4540 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 -1.6630 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 0.4590 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 2.2320 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 2 1 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 27 1 M CHG 1 29 -1 M END