IFLAB-ZINC04166780 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -4.9030 -0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -6.6370 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -7.5630 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -8.9320 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -9.3000 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -8.3990 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -7.1010 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -9.5990 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -8.6190 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -7.4520 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -10.9890 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -11.5520 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -12.9210 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 -13.7340 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -13.1720 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -11.8030 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -15.0810 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -15.8580 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -8.7320 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 -10.9190 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 -13.3580 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -13.8060 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -11.3660 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -16.9140 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -15.5540 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -15.6970 -0.3860 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 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 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 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 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END