IBS-ZINC02136214 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.4380 1.4080 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.0370 -0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7930 -0.6860 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.1100 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -0.4960 -0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.5270 1.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -0.8270 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.6890 2.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -1.3500 3.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3730 -0.6060 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.6810 3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -3.2480 4.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -4.4790 4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -5.0120 5.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -4.3190 6.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -3.0960 5.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -2.5620 4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -1.3530 4.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.2790 5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 0.6480 5.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.2750 6.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 0.7530 7.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 0.7310 8.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -0.3130 9.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -1.3390 8.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -1.3120 7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -2.3220 6.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -3.0800 6.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -2.3770 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -3.3130 4.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 2.0700 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 1.7670 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 1.5170 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -0.6460 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -3.4250 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -2.5350 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -5.0290 4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -5.9680 6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -4.7360 7.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -2.5590 6.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -1.6100 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 1.5690 7.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 1.5300 9.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -0.3270 10.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -2.1440 8.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 0.2050 -2.3040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 46 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 46 -1 M END