IBS-ZINC02193603 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -6.1120 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -6.8890 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -6.6210 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -7.9880 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -8.4290 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -7.5130 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 -7.9430 -0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -9.2310 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 -9.6290 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 -10.9430 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -11.8780 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 -11.4770 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1280 -10.1660 0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -9.8000 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -10.6280 0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2780 -6.1860 -0.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -5.6980 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 -5.3260 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 -4.6620 -0.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6210 -4.0690 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1600 -3.7600 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5550 -4.3300 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2640 -5.1040 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9500 -5.6660 0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -4.1640 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -8.6990 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2430 -8.8990 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8000 -11.2610 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 -12.9210 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -12.2050 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6430 -4.5570 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7660 -5.9260 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 -2.7270 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9830 -3.8290 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2710 -3.5260 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9100 -5.0040 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2490 -4.4240 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9990 -5.8940 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -4.4780 0.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -3.8900 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 57 2 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 57 58 1 0 0 0 0 M END