CHEMBRIDGE-ZINC00940543 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 1.1450 0.1260 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -1.3390 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -2.2360 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -3.5790 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -4.0260 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -3.1280 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -1.7840 -2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -5.4900 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -5.7790 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -5.7260 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -6.0240 -1.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -6.3260 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -6.2530 0.2790 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -6.6640 0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9420 -6.6950 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -6.4280 -1.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -7.0550 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 -8.2550 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4080 -8.5850 1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4950 -7.7300 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4300 -6.5390 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2770 -6.1950 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2070 -4.9180 -0.4270 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2030 -4.2260 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1540 -4.5580 -0.9210 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1960 0.3340 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 0.7190 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 0.3840 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -1.8870 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -4.2800 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -3.4770 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -1.0830 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -5.7480 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -6.0830 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -5.4610 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -6.8780 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 -8.9240 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4650 -9.5130 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3990 -7.9930 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2830 -5.8760 0.9760 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 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 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END