REMARK Name = BDB024650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.537 0.042 -1.316 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.441 -0.722 -0.879 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.663 -2.134 -0.502 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.077 -2.251 0.970 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.468 -3.014 -0.854 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.221 -2.523 -0.157 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.034 -1.046 -0.350 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.747 -0.492 -0.152 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.414 -1.131 0.189 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.354 -0.210 0.248 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.821 1.039 -0.019 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.525 0.867 -0.298 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.552 1.739 -0.647 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.830 1.188 -0.835 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.107 -0.183 -0.696 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.513 1.192 -1.740 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.502 2.333 -0.018 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.148 2.687 1.329 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -2.689 4.125 1.351 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -3.203 4.616 -0.014 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -3.631 3.444 -0.901 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -2.468 2.494 -1.206 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -2.157 5.309 -0.708 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -2.088 6.692 -0.377 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.866 0.073 -1.678 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.716 -0.652 -1.238 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.788 -0.507 0.583 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.287 -1.825 -0.051 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -2.749 -3.098 0.595 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -2.952 -3.381 1.958 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -2.438 -4.552 2.513 0.00 0.00 +0.159 A ATOM 32 F LIG 1 -2.642 -4.806 3.816 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -1.726 -5.451 1.728 0.00 0.00 +0.158 A ATOM 34 F LIG 1 -1.233 -6.575 2.270 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -1.518 -5.193 0.377 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -2.029 -4.022 -0.188 0.00 0.00 +0.007 A ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C LIG 1 -4.804 -1.856 -0.101 0.00 0.00 +0.313 C ATOM 38 O LIG 1 -5.482 -2.365 -0.981 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -5.408 -1.312 0.974 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -6.361 -1.487 0.815 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8