REMARK Name = BDB008064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.400 0.527 -0.491 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.538 1.620 0.011 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.954 1.748 -0.263 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.413 2.887 0.394 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -3.749 3.312 0.359 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.651 2.543 -0.376 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.239 1.402 -1.051 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -6.304 3.023 -0.447 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -1.335 3.451 1.019 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -1.364 4.302 1.567 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.898 0.999 -1.001 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.201 2.689 0.853 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 1.014 3.099 1.509 0.00 0.00 +0.354 C ATOM 14 O LIG 1 1.198 4.155 2.093 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 1.974 2.161 1.463 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 2.733 2.571 1.929 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -0.936 -1.282 0.569 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -1.279 -0.525 1.148 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -0.186 -0.918 -0.542 0.00 0.00 +0.239 C ATOM 20 O LIG 1 0.101 -1.719 -1.433 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -2.622 -2.865 -0.328 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -1.572 -2.595 0.761 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -2.281 -2.579 2.129 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -0.526 -3.722 0.780 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 1.077 0.941 -1.734 0.00 0.00 -0.284 N ATOM 26 C LIG 1 0.391 1.031 -2.927 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -0.788 0.771 -3.120 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 2.483 1.325 -1.683 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 C LIG 1 3.415 0.214 -1.271 0.00 0.00 +0.005 A ATOM 30 C LIG 1 4.444 0.467 -0.355 0.00 0.00 +0.131 A ATOM 31 F LIG 1 4.578 1.692 0.177 0.00 0.00 -0.205 F ATOM 32 C LIG 1 5.338 -0.525 0.029 0.00 0.00 +0.077 A ATOM 33 C LIG 1 5.208 -1.793 -0.517 0.00 0.00 +0.126 A ATOM 34 F LIG 1 6.062 -2.758 -0.152 0.00 0.00 -0.205 F ATOM 35 C LIG 1 4.207 -2.077 -1.439 0.00 0.00 +0.039 A ATOM 36 C LIG 1 3.315 -1.073 -1.823 0.00 0.00 +0.011 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 8