OTAVA-ZINC04980334 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 0.2160 0.3430 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -0.8600 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.1450 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -0.1740 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -0.4610 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -1.6660 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -2.6210 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -2.3780 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -3.4060 -1.2440 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2530 -4.5850 -1.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -3.0740 -1.4900 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4860 1.0640 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 1.3050 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 2.0330 0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 3.0770 1.6410 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 2.2870 2.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 3.9120 1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 4.1190 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 4.0890 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 4.9070 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 5.7560 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 5.7860 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 4.9720 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 5.0150 -0.8110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 4.8690 3.3950 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 0.5560 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -1.5940 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 0.2710 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -1.8840 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -3.5690 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 2.2510 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 2.0960 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 3.4260 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 6.3940 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 6.4480 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 12 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 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 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END