IBS-ZINC06759385 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.9060 0.8120 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -0.5230 -0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8920 -1.3230 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.4010 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.5330 -0.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -0.8690 1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.2320 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -1.3390 2.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.5020 3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.4160 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -1.7380 6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -3.0500 5.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -3.2270 4.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -2.8830 3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -4.3950 6.7790 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -5.4620 6.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -3.9490 8.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -4.9110 5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -5.8110 4.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -6.2200 4.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -5.7470 4.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -4.8780 5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -4.4590 6.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 -6.1420 4.0320 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 1.6260 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 1.0640 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 0.7940 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -0.8280 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.7320 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -0.4100 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -2.1030 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -0.9730 6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -1.7040 6.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -2.5750 4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -4.2480 4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -3.6400 3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -2.9270 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -6.1810 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -6.8980 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -4.5330 6.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -3.7820 7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -0.2010 -2.3770 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 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 36 1 0 0 0 0 14 37 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 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 42 -1 M END