MMs01466179 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2942 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 -2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -3.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8827 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8923 -0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 1.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -0.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4808 -2.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0883 -0.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3921 -0.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4016 1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6863 -0.8242 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.8378 -1.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8337 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2989 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0571 -1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0605 -0.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3817 1.2424 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -14.8469 0.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9165 1.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7029 2.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1324 3.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4536 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3452 5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9157 5.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5946 3.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6664 7.1032 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2417 -2.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5713 -4.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9181 -2.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 1.4911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 2.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8075 1.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2037 1.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0286 0.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5712 0.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6337 -2.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7006 -3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9208 -3.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3920 -3.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0234 -2.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8657 -0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0190 2.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5972 4.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0291 5.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4510 3.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 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 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M END