IBS-ZINC04625163 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -1.2190 1.3010 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -0.0010 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -1.0500 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -1.9200 -0.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -3.0460 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -3.3410 0.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -3.8890 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -5.0200 -1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -5.5540 -0.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -6.7890 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -7.2610 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -9.2010 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -10.5940 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -10.5520 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -10.0940 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -8.6740 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -3.5260 -3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -4.1850 -4.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -2.3820 -3.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -1.5620 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -0.5810 -2.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 2.0140 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 1.6850 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.3350 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -1.6310 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -0.5940 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -5.6370 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -4.9800 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -7.5640 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -6.6250 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -6.5720 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -7.3360 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -9.2390 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -8.5010 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -10.9710 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -11.3040 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -10.1060 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -10.7940 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -7.9660 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -8.3600 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -2.1040 -3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -8.6410 0.4350 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5320 -9.2800 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 42 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 41 1 0 0 0 0 20 21 2 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END