CHEMBRIDGE-ZINC04745421 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.4620 3.0660 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 1.6860 -0.8340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5830 1.2560 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 1.7790 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 2.1390 1.6510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1650 3.1570 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 1.1780 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 0.7420 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 0.2600 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 0.3380 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -0.3720 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 0.1480 1.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 0.0190 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 0.7240 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 0.7300 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8900 0.9520 0.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9390 1.1290 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1800 2.4820 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8310 2.8650 3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2530 1.8990 4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0320 0.5410 4.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 0.1570 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4070 -0.4950 5.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1510 -0.1650 6.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 2.1360 2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 3.7050 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 2.9750 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 3.5840 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 0.8100 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 2.5130 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 0.1500 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 1.5390 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 0.7750 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -0.2890 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -0.7650 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 1.3880 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -0.1360 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -0.2620 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 -1.4470 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 0.4430 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -1.0500 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 0.5190 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 1.8080 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8710 3.2330 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 3.9180 4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7590 2.2410 5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2110 -0.8980 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5550 0.4460 7.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0920 0.3330 6.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3980 -1.0980 7.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 2.8450 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 2.4290 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 1.1440 2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 1.1450 0.7380 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2370 2.1030 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 54 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 9 54 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 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END