CHEMBRIDGE-ZINC00436755 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.8840 1.4160 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -0.0130 0.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.6230 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 0.1390 2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -0.4780 2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -1.8610 2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -2.6290 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -2.0070 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -4.0280 2.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -4.7670 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -4.2240 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -6.2690 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -6.8520 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -7.1950 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -7.7300 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -7.9230 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -7.5810 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -7.0500 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -8.4960 -2.9600 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7260 -8.7970 -3.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -8.6660 -2.8540 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3780 -2.4680 3.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -1.6170 3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 1.7750 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.7740 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 1.7900 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 1.2170 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 0.1180 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -2.6000 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -4.4630 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -6.6560 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -6.5450 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -7.0440 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -7.9980 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -7.7320 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -6.7860 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 -0.9950 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -0.9810 4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -2.2270 4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END