IBS-ZINC06664005 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 0.5260 0.2630 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -0.2460 -0.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.6530 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -1.1400 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -1.5890 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -1.5620 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -1.0620 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -0.6120 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 -2.0450 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 -1.9630 -1.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -2.5900 0.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3230 -3.1190 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3640 -2.0140 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7640 -2.5880 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 -3.7840 1.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8290 -1.6990 1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1780 -2.2570 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2120 -1.4220 1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1450 0.0660 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7110 0.5770 1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6640 -0.2600 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1290 0.8800 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9920 1.7990 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7000 2.3170 2.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.4280 3.0200 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2350 1.7010 3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2850 0.8280 3.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1260 2.1220 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8910 1.5950 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 0.5370 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 1.1670 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.4990 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -1.1700 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -1.9630 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -0.9850 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -0.2300 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -2.6570 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5380 -3.7570 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 -3.7540 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1560 -1.4020 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 -1.3710 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4330 -2.3290 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2020 -3.2800 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2150 -1.8290 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0340 -1.5330 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6090 1.6270 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4820 0.5530 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6780 0.0770 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7090 -0.0950 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6270 1.9290 4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0300 1.6430 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2250 3.2010 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0900 1.5310 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0100 2.2240 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5270 0.1940 -0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.7920 -0.1830 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3510 -0.4010 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 55 1 M END