IFLAB-ZINC01795149 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -2.5660 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.8990 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -4.6220 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -4.4940 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 -6.3040 0.0080 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -6.8130 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 -5.8620 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2190 -6.2640 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5340 -7.6120 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5280 -8.5600 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 -8.1650 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1280 -9.1810 -0.0110 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4090 -10.3660 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -8.8320 -0.0200 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.9510 -8.0390 0.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.8390 -7.2050 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2300 -9.2250 0.0500 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 -4.1700 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -4.1600 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 -4.8100 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0080 -5.5270 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 -9.6110 0.0260 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 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 19 1 M CHG 1 21 -1 M END