IFLAB-ZINC04517525 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0230 1.8100 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -0.4230 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 0.5800 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 0.2560 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -1.0660 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -2.0820 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -1.7550 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -3.4990 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -4.3810 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -3.8120 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -5.1470 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -6.1530 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 -7.4700 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -7.7890 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -6.7910 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 -5.4710 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8850 -9.4720 -0.4270 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 -9.5490 -1.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -10.2580 -0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8550 -9.8000 0.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1880 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 2.1770 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 2.1560 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 1.6170 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 1.0400 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -1.3160 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -2.5360 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -3.1110 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -5.9040 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 -8.2520 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0470 -7.0430 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 -4.6910 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5620 -10.4590 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7160 -9.3320 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END