IBS-ZINC06660982 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -0.6780 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 0.0180 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -0.6660 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 0.0360 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -0.4910 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 -1.6840 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5730 0.4260 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 1.7220 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0060 2.6670 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 1.7980 -0.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 0.0270 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4530 -0.1040 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6860 0.1160 -2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7250 -0.4640 -1.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1820 -0.5910 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6540 -1.0080 -3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1320 -1.1400 -4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5410 -1.5400 -4.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0220 -2.8220 -4.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3660 -2.7340 -4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6960 -1.4340 -4.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6090 -0.7130 -4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7610 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9940 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -1.7580 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 1.0980 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 -1.7460 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5800 0.7810 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0940 -0.9310 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3380 -0.6390 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 -1.3450 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0710 0.3670 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2510 -0.2530 -2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7660 -1.9660 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5350 -1.8950 -5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0200 -0.1820 -5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4360 -3.7290 -4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0560 -3.5640 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5690 0.3660 -4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 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 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 28 48 1 0 0 0 0 M END