IBS-ZINC04836921 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 1.4290 0.0960 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -1.1140 -0.9040 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7520 -2.2550 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -2.4600 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.6670 1.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -1.5920 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -1.3850 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.9150 -2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 0.2410 -2.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0240 1.0920 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 0.6430 -4.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -0.5020 -4.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -0.2330 -6.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -1.5040 -7.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -1.8420 -7.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -3.0070 -8.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -3.8350 -8.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -3.4970 -8.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -2.3290 -7.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -0.1780 -2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 0.6480 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 1.6430 -1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 0.3340 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 1.4260 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 1.1110 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 0.3490 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4820 0.0600 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4710 0.5340 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 1.2970 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 1.5890 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 0.3690 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 0.9120 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -0.0950 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -3.1530 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -2.0550 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -3.3320 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -1.5780 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -1.8360 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.6800 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -0.5400 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -2.2840 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -0.6800 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.8250 -2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.4060 -4.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 1.0410 -4.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 0.5110 -6.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 0.1460 -6.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -1.1950 -7.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -3.2720 -8.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -4.7460 -9.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -4.1440 -8.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -2.0630 -7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 0.2900 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -0.6280 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 1.4690 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 2.3870 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -0.0210 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7470 -0.5350 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5070 0.3080 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9040 1.6670 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 2.1880 -1.7680 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 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 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 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 M CHG 1 2 1 M END