CHEMBRIDGE-ZINC00978496 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.6360 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1000 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5450 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.9290 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -2.6760 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0370 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.8300 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -2.2700 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -4.1770 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -4.9210 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -6.2950 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -6.8060 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -5.8620 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -4.2650 -0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -6.1260 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 -5.0630 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 -5.3170 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 -6.6210 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -7.6780 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.4390 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -7.1440 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -6.6370 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0330 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -2.4240 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -3.7550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -4.6240 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -7.8640 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 -4.0450 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 -4.4960 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 -6.8140 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -8.6940 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -8.2650 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -8.4860 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -9.0040 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 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 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 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 39 40 1 0 0 0 0 M END