IFLAB-ZINC04061807 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0940 2.0690 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.6460 -0.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3180 0.7660 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -0.1380 -0.6280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0630 0.4050 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -0.2100 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.3220 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 0.0840 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -0.6230 -4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -0.9950 -3.3310 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -2.5310 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -3.8440 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -3.6410 1.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -2.7460 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.3760 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -0.0620 -1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -0.6960 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -0.8430 0.8510 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -1.1530 -1.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -2.1260 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.0520 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -3.9880 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 -4.0150 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -3.1110 -3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -2.1690 -3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -1.2410 -4.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -1.1770 -5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 2.6220 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 2.0760 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 2.6150 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 0.8650 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 0.4170 -4.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -0.9390 -5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -2.7180 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -2.0840 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -4.5500 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -4.3090 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.6500 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -3.1790 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -0.9560 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -0.6880 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.0840 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.6970 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -3.1010 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -4.7040 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -4.7480 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -3.1720 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -0.9430 -5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -2.1040 -5.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -0.3650 -5.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -1.5130 0.0700 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2750 -1.8850 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 51 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END