REMARK Name = BDB057522 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.519 -0.531 -0.065 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.983 -0.307 -0.105 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.239 0.517 0.462 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -5.208 -1.052 0.591 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.883 -1.349 0.190 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.575 -2.697 -0.042 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -4.507 -3.713 0.199 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -5.783 -3.404 0.656 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.138 -2.073 0.852 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -4.858 1.137 1.368 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -5.623 0.363 0.795 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -6.938 0.858 0.311 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.540 0.341 -0.842 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -8.773 0.840 -1.268 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.399 1.861 -0.552 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.792 2.392 0.586 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.560 1.896 1.015 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.045 -0.814 1.364 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -1.017 -0.027 2.299 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -0.644 -2.092 1.548 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -0.412 -2.124 2.499 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.818 0.738 -0.589 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.665 0.549 -0.816 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.592 0.982 0.141 0.00 0.00 +0.007 A ATOM 25 C LIG 1 2.964 0.789 -0.056 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.425 0.161 -1.213 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.502 -0.272 -2.167 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.132 -0.082 -1.973 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 4.732 -0.089 -1.528 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 5.721 0.352 -0.595 0.00 0.00 +0.233 C BRANCH 30 31 ATOM 31 C LIG 1 7.094 -0.017 -1.156 0.00 0.00 +0.076 C BRANCH 31 32 ATOM 32 C LIG 1 8.214 0.408 -0.242 0.00 0.00 -0.041 A ATOM 33 C LIG 1 8.686 -0.457 0.754 0.00 0.00 +0.042 A ATOM 34 C LIG 1 9.707 -0.044 1.605 0.00 0.00 +0.124 A ATOM 35 F LIG 1 10.152 -0.879 2.553 0.00 0.00 -0.205 F ATOM 36 C LIG 1 10.271 1.221 1.488 0.00 0.00 +0.038 A ATOM 37 C LIG 1 9.805 2.091 0.504 0.00 0.00 +0.003 A ATOM 38 C LIG 1 8.780 1.687 -0.356 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 12