IBS-ZINC02227084 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 0.1060 1.4640 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.0050 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.8240 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.6080 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -1.6750 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.9740 2.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -3.2060 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -2.1310 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -2.0340 -0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.7850 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.2870 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -0.2420 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 0.2430 -4.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 0.3650 -5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 0.0740 -4.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 0.8540 -6.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 0.9820 -7.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.4390 -8.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 1.7700 -9.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 1.6460 -8.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 1.1850 -7.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.0510 3.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -3.8960 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -2.8540 5.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -4.9930 5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -6.1920 5.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -7.2120 6.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -7.0510 7.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -5.8600 8.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -4.8330 7.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -5.6940 9.5730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7260 -4.6510 9.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -6.6010 10.3800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0740 -8.0600 8.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -9.2560 8.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 1.7380 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.8810 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.8600 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.3970 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -1.5040 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -4.2150 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.9590 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.7140 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 0.4300 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -1.2430 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.4750 -4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 0.7250 -7.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 1.5390 -9.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 2.1280 -10.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.9060 -8.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 1.0840 -6.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -4.9070 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -6.3180 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -8.1390 6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -3.9060 7.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -9.6760 7.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -9.0270 7.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -9.9790 9.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 10 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 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 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 41 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 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 2 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 34 35 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END