MMs01845777 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 -0.7510 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 2.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 1.3041 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 -1.2940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 -2.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5019 -2.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2510 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7510 -1.2896 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7498 0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7521 -2.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2510 -1.2884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0019 -2.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3928 -3.9577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5083 -4.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8068 -4.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4938 -2.7426 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 3.8988 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 1.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 3.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1008 -1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1517 -2.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4027 -3.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1027 -3.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0992 1.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3992 1.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8502 -0.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3838 -6.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9034 -4.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 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 34 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M END