REMARK 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE KT531_M4*** MODEL 1 HETATM 1 C1 UNK 900 62.082 72.683 8.274 1.00 0.00 C HETATM 2 C2 UNK 900 61.935 72.347 9.625 1.00 0.00 C HETATM 3 C3 UNK 900 62.297 73.249 10.626 1.00 0.00 C HETATM 4 C4 UNK 900 62.797 74.510 10.291 1.00 0.00 C HETATM 5 C5 UNK 900 62.914 74.861 8.948 1.00 0.00 C HETATM 6 C6 UNK 900 62.552 73.961 7.953 1.00 0.00 C HETATM 7 C7 UNK 900 61.716 71.689 7.194 1.00 0.00 C HETATM 8 O1 UNK 900 60.789 70.886 7.336 1.00 0.00 O HETATM 9 N1 UNK 900 62.424 71.686 6.058 1.00 0.00 N HETATM 10 O2 UNK 900 62.116 70.897 5.029 1.00 0.00 O1- HETATM 11 C8 UNK 900 60.724 77.959 13.287 1.00 0.00 C HETATM 12 C9 UNK 900 61.716 78.940 13.188 1.00 0.00 C HETATM 13 C10 UNK 900 61.688 80.063 14.014 1.00 0.00 C HETATM 14 C11 UNK 900 60.659 80.218 14.941 1.00 0.00 C HETATM 15 C12 UNK 900 59.658 79.250 15.040 1.00 0.00 C HETATM 16 C13 UNK 900 59.686 78.120 14.216 1.00 0.00 C HETATM 17 N2 UNK 900 62.279 75.687 12.470 1.00 0.00 N HETATM 18 C14 UNK 900 63.237 75.525 11.345 1.00 0.00 C HETATM 19 S1 UNK 900 60.787 76.585 12.133 1.00 0.00 S HETATM 20 O3 UNK 900 60.921 77.205 10.812 1.00 0.00 O HETATM 21 O4 UNK 900 59.663 75.684 12.414 1.00 0.00 O HETATM 22 F1 UNK 900 58.699 77.203 14.337 1.00 0.00 F HETATM 23 F2 UNK 900 58.659 79.403 15.941 1.00 0.00 F HETATM 24 F3 UNK 900 62.658 81.000 13.909 1.00 0.00 F HETATM 25 F4 UNK 900 60.629 81.308 15.744 1.00 0.00 F HETATM 26 C15 UNK 900 62.296 74.778 13.651 1.00 0.00 C HETATM 27 C16 UNK 900 63.492 73.866 13.901 1.00 0.00 C HETATM 28 C17 UNK 900 63.315 75.112 14.720 1.00 0.00 C HETATM 29 H1 UNK 900 61.560 71.375 9.912 1.00 0.00 H HETATM 30 H2 UNK 900 62.193 72.952 11.658 1.00 0.00 H HETATM 31 H3 UNK 900 63.289 75.835 8.666 1.00 0.00 H HETATM 32 H4 UNK 900 62.654 74.280 6.933 1.00 0.00 H HETATM 33 H5 UNK 900 63.184 72.344 5.950 1.00 0.00 H HETATM 34 H6 UNK 900 62.516 78.838 12.467 1.00 0.00 H HETATM 35 H7 UNK 900 64.234 75.308 11.720 1.00 0.00 H HETATM 36 H8 UNK 900 63.326 76.498 10.860 1.00 0.00 H HETATM 37 H9 UNK 900 61.313 74.444 13.987 1.00 0.00 H HETATM 38 H10 UNK 900 63.302 72.900 14.368 1.00 0.00 H HETATM 39 H11 UNK 900 64.318 73.804 13.195 1.00 0.00 H HETATM 40 H12 UNK 900 63.981 75.962 14.550 1.00 0.00 H HETATM 41 H13 UNK 900 63.037 75.009 15.768 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 29 CONECT 3 2 4 30 CONECT 4 3 5 18 CONECT 5 4 6 31 CONECT 6 1 5 32 CONECT 7 1 8 9 CONECT 8 7 CONECT 9 7 10 33 CONECT 10 9 CONECT 11 16 12 19 CONECT 12 11 13 34 CONECT 13 12 14 24 CONECT 14 13 15 25 CONECT 15 14 16 23 CONECT 16 11 15 22 CONECT 17 18 19 26 CONECT 18 4 17 35 36 CONECT 19 11 17 20 21 CONECT 20 19 CONECT 21 19 CONECT 22 16 CONECT 23 15 CONECT 24 13 CONECT 25 14 CONECT 26 17 28 27 37 CONECT 27 26 28 38 39 CONECT 28 26 27 40 41 CONECT 29 2 CONECT 30 3 CONECT 31 5 CONECT 32 6 CONECT 33 9 CONECT 34 12 CONECT 35 18 CONECT 36 18 CONECT 37 26 CONECT 38 27 CONECT 39 27 CONECT 40 28 CONECT 41 28 ENDMDL END