CHEMBRIDGE-ZINC04777412 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -1.0850 2.3390 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 0.9140 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 0.4160 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 1.1530 -2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.0120 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -1.5880 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -2.9130 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -3.5050 -1.7970 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -1.9480 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -1.6660 -2.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -2.6610 -2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -3.8030 -2.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -2.3550 -3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -3.6310 -4.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -3.9410 -5.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -5.1110 -5.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -5.9710 -5.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 -5.6610 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 -4.4930 -3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -4.1640 -1.7810 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9090 -4.8660 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -3.1910 -1.3560 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4650 -0.7920 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -1.1880 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -0.4440 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 0.6930 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 1.0910 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 0.3510 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 2.8930 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 2.5860 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 2.6080 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -3.5340 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -0.7530 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -1.9040 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -1.6620 -4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -3.2690 -6.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -5.3520 -6.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 -6.8850 -5.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -6.3330 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -2.0750 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -0.7490 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 1.2730 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 1.9790 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 0.6600 -1.7360 H 0 0 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END