REMARK Originally converted from MOL file T:\SHESTA~1\AZACROWN\LACAV_O.MOL. REMARK MOL Molecule name: REMARK MOL Comments: HETATM 1 La 1 0.000 0.000 0.000 HETATM 2 N 2 1.909 -1.342 1.399 HETATM 3 H 3 1.718 -1.140 2.289 HETATM 4 C 4 1.834 -2.808 1.295 HETATM 5 H 5 1.118 -3.130 1.847 HETATM 6 H 6 2.653 -3.192 1.616 HETATM 7 O 7 0.346 -2.693 -0.569 HETATM 8 C 8 1.602 -3.247 -0.129 HETATM 9 H 9 1.575 -4.205 -0.178 HETATM 10 H 10 2.315 -2.935 -0.691 HETATM 11 O 11 -1.108 -1.088 -2.304 HETATM 12 C 12 0.025 -3.135 -1.886 HETATM 13 H 13 -0.052 -4.091 -1.900 HETATM 14 H 14 0.722 -2.879 -2.495 HETATM 15 N 15 -2.089 1.323 -1.186 HETATM 16 H 16 -2.710 0.984 -0.927 HETATM 17 C 17 -1.271 -2.512 -2.302 HETATM 18 H 18 -1.515 -2.817 -3.179 HETATM 19 H 19 -1.967 -2.763 -1.690 HETATM 20 O 20 0.364 0.965 2.435 HETATM 21 O 21 0.117 2.776 -0.121 HETATM 22 C 22 -2.284 -0.450 -2.834 HETATM 23 H 23 -3.065 -0.782 -2.385 HETATM 24 H 24 -2.368 -0.647 -3.769 HETATM 25 N 25 -0.796 1.440 2.609 HETATM 26 O 26 2.359 1.305 0.499 HETATM 27 C 27 -2.173 1.037 -2.632 HETATM 28 H 28 -1.390 1.369 -3.077 HETATM 29 H 29 -2.941 1.475 -3.007 HETATM 30 N 30 -2.078 -1.808 1.396 HETATM 31 C 31 -2.143 2.765 -0.909 HETATM 32 H 32 -2.454 2.908 -0.012 HETATM 33 H 33 -2.765 3.183 -1.510 HETATM 34 O 34 -1.639 1.240 1.690 HETATM 35 N 35 1.854 0.313 -2.473 HETATM 36 C 36 -0.784 3.395 -1.076 HETATM 37 H 37 -0.463 3.256 -1.970 HETATM 38 H 38 -0.836 4.340 -0.916 HETATM 39 C 39 1.417 3.352 -0.234 HETATM 40 H 40 1.374 4.298 -0.081 HETATM 41 H 41 1.769 3.201 -1.114 HETATM 42 O 42 -1.092 2.066 3.631 HETATM 43 O 43 0.919 1.132 -2.230 HETATM 44 C 44 2.301 2.699 0.798 HETATM 45 H 45 3.182 3.081 0.768 HETATM 46 H 46 1.941 2.835 1.677 HETATM 47 O 47 -2.326 -1.240 0.289 HETATM 48 C 48 3.290 0.650 1.386 HETATM 49 H 49 3.051 0.826 2.298 HETATM 50 H 50 4.176 0.986 1.236 HETATM 51 O 51 -0.927 -1.605 1.907 HETATM 52 C 52 3.254 -0.824 1.125 HETATM 53 H 53 3.487 -0.998 0.210 HETATM 54 H 54 3.893 -1.269 1.687 HETATM 55 O 55 -2.899 -2.524 1.962 HETATM 56 O 56 2.636 0.477 -3.410 HETATM 57 O 57 1.950 -0.688 -1.706 CONECT 1 2 7 11 15 21 26 34 43 47 51 57 CONECT 2 1 3 4 52 CONECT 3 2 CONECT 4 2 5 6 8 CONECT 5 4 CONECT 6 4 CONECT 7 1 8 12 CONECT 8 4 7 9 10 CONECT 9 8 CONECT 10 8 CONECT 11 1 17 22 CONECT 12 7 13 14 17 CONECT 13 12 CONECT 14 12 CONECT 15 1 16 27 31 CONECT 16 15 CONECT 17 11 12 18 19 CONECT 18 17 CONECT 19 17 CONECT 20 25 CONECT 21 1 36 39 CONECT 22 11 23 24 27 CONECT 23 22 CONECT 24 22 CONECT 25 20 34 42 CONECT 26 1 44 48 CONECT 27 15 22 28 29 CONECT 28 27 CONECT 29 27 CONECT 30 47 51 55 CONECT 31 15 32 33 36 CONECT 32 31 CONECT 33 31 CONECT 34 1 25 CONECT 35 43 56 57 CONECT 36 21 31 37 38 CONECT 37 36 CONECT 38 36 CONECT 39 21 40 41 44 CONECT 40 39 CONECT 41 39 CONECT 42 25 CONECT 43 1 35 CONECT 44 26 39 45 46 CONECT 45 44 CONECT 46 44 CONECT 47 1 30 CONECT 48 26 49 50 52 CONECT 49 48 CONECT 50 48 CONECT 51 1 30 CONECT 52 2 48 53 54 CONECT 53 52 CONECT 54 52 CONECT 55 30 CONECT 56 35 CONECT 57 1 35 END