IFLAB-ZINC04315319 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.0810 1.5140 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.0210 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -0.7980 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -2.1880 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -2.7820 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.9620 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.5720 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.2770 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -4.7760 -0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -6.1220 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -6.9950 -0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -6.4980 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -8.1600 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -9.6490 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -10.3220 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -10.0690 0.1530 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6530 -10.5540 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 -8.5660 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -10.6380 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -11.9620 -0.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -12.6800 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -12.1450 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9710 -13.2700 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3290 -13.0780 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9280 -11.8220 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1850 -10.7090 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8220 -10.8830 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8870 -9.9650 -0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.8910 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 1.9840 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 1.8190 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.3570 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -2.8020 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -2.3980 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 0.0460 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -4.5870 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -4.7560 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -4.0930 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -5.8850 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -6.3770 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -7.6320 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -7.7150 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -10.1310 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -9.7960 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -11.3990 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -9.9430 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -8.3950 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -8.0180 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5110 -14.2480 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9310 -13.9260 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9860 -11.7050 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6470 -9.7330 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -7.9610 0.3040 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3400 -8.4250 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 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 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 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 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END