MMs01774777 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 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 -0.7600 -1.2932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 -2.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -3.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -5.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -3.8912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1881 -4.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 -2.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4847 -2.2517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -0.1592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9232 0.0013 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9117 1.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2049 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1933 3.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4865 4.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6071 -3.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0301 -2.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3307 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7536 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8760 -1.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5755 -3.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1525 -3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8520 -5.2369 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 -0.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 0.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7315 1.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4925 2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 1.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3850 2.4787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0132 3.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7742 4.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4773 5.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6673 -3.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1787 -4.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4327 -0.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9941 0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0144 -1.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4734 -4.0889 0.0000 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 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 M END