IFLAB-ZINC04087103 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.5570 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.0640 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -1.7660 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -2.0690 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -1.6750 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -0.7990 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 -0.5050 -2.7580 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -1.4840 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -2.1090 -4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -3.0400 -5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -3.0410 -5.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9590 -5.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -1.5650 -5.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -0.9900 -4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0570 -0.2830 -3.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6420 -1.2590 -5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7290 -2.5120 -6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6560 -2.7220 -7.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5110 -1.6900 -7.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 -1.8890 -9.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 -0.8540 -9.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2170 0.3900 -8.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2930 0.6040 -7.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4330 -0.4250 -7.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 -0.2250 -6.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -0.1770 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.8480 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 2.1280 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 1.8510 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.5200 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.1990 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -1.8400 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -2.4430 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -3.1380 -3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -1.5160 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -4.0510 -5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -4.5990 -6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -2.0840 -5.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 -3.3460 -6.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 -3.7060 -8.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5270 -2.8530 -9.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0130 -1.0210 -10.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8770 1.1950 -9.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 1.5830 -7.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4330 0.7430 -5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -0.6550 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 0.8980 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.3440 -1.2930 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2590 0.2810 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END