REMARK Name = BDB010207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.539 -0.739 0.145 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.183 -0.981 -0.078 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.450 -2.030 0.565 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.753 -2.136 0.192 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.969 -1.165 -0.663 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.152 -2.855 1.432 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.443 -2.565 1.593 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.803 -0.449 -0.890 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.159 -1.575 1.002 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.196 -3.400 2.558 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.462 -3.071 2.860 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.986 -2.292 2.504 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.900 -3.972 3.747 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.009 -3.993 4.256 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.889 -4.867 3.991 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.778 -4.450 3.187 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.215 0.295 -0.471 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.665 1.148 -0.496 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -3.993 0.947 1.136 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -3.645 0.566 -0.298 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -4.532 -0.524 -0.909 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -5.111 -1.713 -0.086 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -6.362 -1.627 -0.985 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -6.014 -0.140 -1.194 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 3.131 -0.948 -1.338 0.00 0.00 -0.304 N ATOM 26 C LIG 1 3.886 -2.139 -1.710 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 3.858 0.317 -1.223 0.00 0.00 +0.111 C BRANCH 27 28 ATOM 28 C LIG 1 4.781 0.527 -0.002 0.00 0.00 +0.011 C ATOM 29 C LIG 1 6.191 -0.072 -0.146 0.00 0.00 +0.033 C ATOM 30 C LIG 1 6.427 -1.366 0.619 0.00 0.00 +0.160 C ATOM 31 O LIG 1 5.922 -1.279 1.945 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 4.506 -1.105 1.946 0.00 0.00 +0.160 C ATOM 33 C LIG 1 4.156 0.259 1.374 0.00 0.00 +0.033 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 34 ATOM 34 C LIG 1 0.582 0.497 -1.976 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 0.410 1.940 -1.543 0.00 0.00 -0.028 A ATOM 36 C LIG 1 0.802 2.431 -0.288 0.00 0.00 +0.006 A ATOM 37 C LIG 1 0.616 3.776 0.044 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.034 4.666 -0.869 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -0.341 4.185 -2.130 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.154 2.840 -2.462 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -0.144 6.124 -0.518 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -1.222 6.689 -1.129 0.00 0.00 -0.166 F ATOM 43 F LIG 1 0.930 6.877 -0.879 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.321 6.333 0.816 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10