IBS-ZINC04899110 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.1600 1.6630 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.1480 -0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1000 -0.2260 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.3280 1.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6630 -1.4270 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -0.6630 -0.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6400 -1.7400 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -0.1890 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.4700 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -1.2210 -2.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -1.4150 -1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -0.4010 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -1.4480 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5730 -1.2280 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 0.0410 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 1.0930 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 0.8750 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 0.3130 -0.0130 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 0.1560 2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.6420 3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -0.2390 4.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 0.9700 4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 1.7820 4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 1.3800 3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 1.4670 6.4070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 2.1510 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.9070 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 2.1140 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 0.8840 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.7140 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -1.9410 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -2.4510 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 -2.0510 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 2.0850 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 1.7200 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -1.5910 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -0.8730 4.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 2.7320 4.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 2.0530 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -0.0160 1.0340 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3220 0.9970 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -0.3480 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 40 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 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 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 40 1 M END