SPECS-ZINC04101032 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.4840 1.2850 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -0.1550 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.7410 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.0860 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -2.8360 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -4.0360 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -2.2210 -1.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -0.8980 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -0.3640 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -3.0020 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.7410 2.4510 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7530 -2.1030 3.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -3.9170 2.4590 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2370 0.0170 2.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 1.1260 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.8370 3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 1.9930 4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 1.8200 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 1.4980 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 1.6080 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -4.0480 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -2.9200 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.6190 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -0.1820 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 0.7380 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 1.8250 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 2.2180 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 1.6120 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 2.5030 5.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 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 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END