IBS-ZINC04806466 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -2.4880 -2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -3.8340 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -4.3490 -3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -5.7160 -3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -6.5750 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -6.0580 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -4.6910 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -7.9590 -3.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -8.8040 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -10.1530 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -10.6850 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -11.1070 -4.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -11.0650 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -12.3650 -1.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -13.0220 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -12.2550 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -10.5650 0.1610 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -14.5050 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -15.2550 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -16.6320 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -17.2720 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -16.5280 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -15.1500 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -18.6300 -0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -19.2230 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -20.7470 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -3.6810 -4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -6.1160 -4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -6.7250 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -4.2890 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -8.3200 -3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -8.4020 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -12.6130 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -14.7570 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -17.2140 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -17.0290 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -14.5720 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -18.8990 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -18.9140 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -21.0710 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -21.0560 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -21.1990 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 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 4 39 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 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 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 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 13 14 2 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 3 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END