IBS-ZINC02201862 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 0.6570 0.6670 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.0740 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.0800 1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.7920 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -2.1600 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -2.8150 -0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -2.1780 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -2.8570 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -2.1870 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -0.8320 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -0.1410 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -0.7990 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -0.1460 0.3480 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4260 1.2290 0.6860 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0750 -2.8800 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -3.3250 1.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -3.9900 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -4.1930 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -4.4730 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -5.1660 2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -5.5970 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -5.3320 4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -4.6770 4.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -4.2410 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 1.1320 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.0320 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.4360 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -3.9070 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8580 -2.7140 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 -0.3240 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 0.9090 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.7430 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -2.2040 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -5.3590 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 -6.1340 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -5.6670 5.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -3.7050 3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 37 1 0 0 0 0 M CHG 1 13 1 M CHG 1 14 -1 M END