MMs01038451 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 1.5000 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 -1.2399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3053 -0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3111 0.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8863 1.1871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5155 -1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8881 -1.0633 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0982 -1.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0925 -3.4496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5173 -3.9186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4036 -2.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5266 -1.4916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9956 -0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9036 -2.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6586 -1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1586 -1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9036 -2.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1486 -4.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6486 -4.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4036 -2.7315 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -2.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3589 2.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 2.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6491 -2.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1827 -2.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1354 -0.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3708 1.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8558 0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0626 -0.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7625 -0.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7446 -5.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0446 -5.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END