IBS-ZINC05111906 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.9370 1.7510 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.2700 -0.1780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2860 0.1390 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -0.2870 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -1.7400 0.8820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -2.4750 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -1.8150 -1.2690 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5220 -1.9200 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.4140 -1.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -2.4540 -2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -2.3840 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -1.6640 3.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.3020 4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -3.6810 4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -4.4000 3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -3.7270 2.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -5.7700 3.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -6.4290 2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -7.6690 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -7.8590 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -6.6060 4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -9.8360 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -4.3310 5.6990 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4920 -4.0470 6.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -5.1350 5.7200 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1260 -1.4840 5.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 1.9190 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 2.1350 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 2.3350 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -0.0650 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 0.2240 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -2.4480 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -3.5280 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -3.5230 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -1.9730 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -2.3220 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -6.7170 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -5.7730 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -8.2420 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -7.3920 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -7.6080 5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -8.5570 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -6.0700 4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -6.9180 3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -9.5580 4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -10.3420 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -10.4750 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -0.4950 5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -1.8140 6.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -8.5900 3.3010 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3280 -8.8840 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 50 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 50 1 M END