IBS-ZINC04811670 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6920 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0580 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7290 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.9460 -0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0090 -1.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6650 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0360 -2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6970 -2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0130 2.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.6640 3.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.0020 4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.7000 5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.1240 7.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -1.1870 8.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.3500 7.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.0450 6.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -3.7250 7.8510 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1430 -3.9140 9.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -4.7600 7.0360 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.6180 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.7740 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -2.4010 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.9570 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 1.0780 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 0.9240 7.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -1.1340 9.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 11 1 0 0 0 0 4 5 1 0 0 0 0 4 25 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 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END