CHEMBRIDGE-ZINC01162464 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.0340 1.0620 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 0.9400 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 2.9260 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 3.4100 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 4.8660 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 5.8480 -0.6430 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0080 5.7130 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 7.2080 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 8.5090 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 8.8960 -2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 10.0310 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 10.1450 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 9.1420 -4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 7.9760 -3.4030 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 9.2670 0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 6.9950 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 7.9610 1.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 5.5420 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 5.0310 1.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 5.7030 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 5.6460 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 5.5120 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 5.4360 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 5.4940 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 5.6320 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 5.2920 1.3190 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3220 5.2400 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 5.2250 2.5180 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0610 -0.0260 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 1.4480 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 1.4640 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 1.3800 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.1440 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 1.1940 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 3.3880 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 3.2040 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 3.1310 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 2.9480 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 10.7630 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 10.9820 -4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 9.0780 -5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 7.6240 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 5.7050 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 5.4670 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 5.4340 2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 5.6800 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 1.4660 1.0180 N 0 0 0 0 0 0 0 0 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 1 47 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 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 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END