CHEMBRIDGE-ZINC04418133 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.0980 1.5330 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.0790 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -0.7930 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.4320 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -0.8250 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -1.2970 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -2.6520 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 -3.1860 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -2.3690 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -1.0180 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -0.4690 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 0.9750 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 1.3570 -0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 1.7990 0.8420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 3.2510 0.6520 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8630 3.6800 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9620 3.6130 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 3.1870 -2.0550 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.1520 3.8030 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1500 3.6420 -4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7060 2.5010 -4.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6870 2.3470 -6.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 3.3290 -7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 4.4640 -6.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 4.6200 -5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 3.9190 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 3.1200 2.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.0270 -1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.9350 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 2.1710 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 1.6380 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.8020 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -1.8280 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -0.4410 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -3.3030 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -4.2370 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 -2.7840 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 -0.4070 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 1.4530 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8820 3.0910 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1630 4.6900 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0030 3.2640 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2810 4.8620 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1510 1.7220 -4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1210 1.4610 -6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 3.2080 -8.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 5.2280 -7.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 5.5040 -4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 0.4710 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0820 5.1570 2.0810 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 4 1 0 0 0 0 2 28 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 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 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 50 -1 M END