IBS-ZINC04040290 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 75 0 0 1 0 0 0 0 0999 V2000 0.2540 0.2680 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -1.2330 -0.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6520 -1.9840 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.7030 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 -2.1710 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -1.4350 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -1.7140 -1.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4400 -2.7840 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.9660 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -1.2350 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -0.7500 -1.4600 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9350 0.3120 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -1.5000 -0.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6860 -2.5700 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.9800 1.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9720 0.1000 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -1.3060 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -0.5950 -0.1290 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6490 -0.9340 -1.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0840 -0.3060 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -2.3930 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -2.4350 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -1.2620 -0.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0370 -1.6510 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 -0.2490 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 0.8830 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 1.2860 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9040 -0.0810 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 -0.8560 -0.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 0.2120 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 0.9140 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -1.6120 2.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -1.9050 -0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -3.1690 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -4.0680 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -3.5850 -0.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 0.4590 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 0.8040 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 0.6110 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -1.6470 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -3.0540 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -0.6330 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.2400 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -0.3630 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -1.7820 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 0.1040 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -1.3110 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -0.7020 -3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -2.3050 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -2.3830 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -0.9830 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -2.6280 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -3.0780 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -2.2980 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7430 -3.3870 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 1.8030 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4070 1.9050 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9900 -0.5380 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8860 0.0320 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 -0.6570 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 0.8530 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 0.7700 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 1.3290 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 1.3830 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 1.1050 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -1.3280 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -3.0670 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 -3.5670 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -3.9120 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -5.1180 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 M END