IBS-ZINC03984092 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.8740 0.7710 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -0.7160 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -1.0060 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -1.1220 1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -1.3740 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -1.4940 4.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.3780 4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -1.1470 3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -1.0230 3.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -1.5600 4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -1.6780 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -2.6620 3.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -1.7470 5.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -1.5210 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 -0.7960 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 -1.5160 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -2.6010 1.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -3.3190 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -2.5780 1.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 0.4190 3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 1.4530 3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 2.6260 4.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 2.7420 5.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 1.7470 5.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 0.5790 4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 2.0590 6.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7030 3.3650 6.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 3.8050 6.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.3440 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 0.9510 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 1.1650 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -1.2760 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -1.0820 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -1.0070 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -1.4680 5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -2.5630 5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -0.8920 5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -1.7860 5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3050 -1.2900 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 1.3580 2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 3.4170 4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 -0.1860 4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 3.3370 7.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 4.0890 6.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -0.7960 5.1980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 45 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 45 -1 M END