IFLAB-ZINC01792765 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0490 1.3540 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0380 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.7320 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.0470 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.3570 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 2.0520 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -0.7800 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -0.4780 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -1.1820 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -2.2030 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -2.5110 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -1.8060 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3240 -2.8100 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 -3.9410 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 -4.5810 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 -4.1110 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1820 -5.7360 -0.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3310 -6.6270 -0.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1750 -6.0290 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0010 -7.7760 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5900 -7.3240 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4350 -6.9710 3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6710 -6.5770 4.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0330 -6.2460 5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -6.6900 3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -7.1610 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 -7.3600 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -7.0770 2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.6050 4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 -6.4030 4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7120 -7.3810 -1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7770 -7.4300 -2.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 1.8940 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -0.5850 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -1.8190 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 1.9230 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1380 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 0.3020 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -0.9370 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 -3.2860 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -2.0590 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 -4.7020 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -3.6410 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -6.0470 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 -8.4050 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8720 -8.4380 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5150 -6.9420 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -7.7220 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 -7.2250 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -6.3870 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 -6.0310 5.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8830 -7.8490 -1.6200 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 47 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 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 M CHG 1 52 -1 M END