IBS-ZINC03999778 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0850 1.5470 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0500 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -0.6220 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -2.0120 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.7170 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -4.1260 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -4.7740 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -3.9820 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -2.5900 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -1.9410 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.5970 -1.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -6.2810 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -6.9280 -0.3890 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4040 -2.7560 2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -2.1870 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -2.7930 4.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -0.8160 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 0.0580 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 1.9860 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 1.8840 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.9220 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -4.7330 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -4.4530 -3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -1.9980 -3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -0.9280 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.3600 4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 0.2390 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.0240 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -6.7840 -2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 29 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M CHG 1 13 -1 M END