REMARK  Name = BDB013172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.189  -0.716  -0.345  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.501  -0.092  -1.421  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.870  -0.038  -1.348  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.268   0.627  -2.471  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.221   0.935  -3.203  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.609  -0.577  -0.286  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.971  -1.151   0.699  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.898   0.483  -2.539  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.408  -1.213   0.640  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.415  -1.187  -0.237  0.00  0.00    +0.058 A 
ATOM     11  N   LIG    1        4.753  -1.391  -1.403  0.00  0.00    -0.258 NA
ATOM     12  C   LIG    1        3.406  -1.227  -1.391  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1        2.659  -0.874  -0.267  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.377  -0.646   0.912  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.763  -0.800   0.930  0.00  0.00    +0.025 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.920  -1.314  -0.268  0.00  0.00    +0.159 C 
BRANCH  16  19
ATOM     17  C   LIG    1        8.353   2.182  -0.403  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        7.889   0.891   0.216  0.00  0.00    +0.210 C 
ATOM     19  N   LIG    1        7.541  -0.075  -0.695  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        7.343   0.206  -1.647  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        7.825   0.736   1.432  0.00  0.00    -0.276 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -2.984  -0.480  -0.310  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.433  -0.389  -1.215  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.800  -1.208   0.648  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.218  -0.722   0.563  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.608   0.521   1.054  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.801   1.597   1.679  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.933   2.478   2.209  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.134   2.211   1.447  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.920   0.960   0.932  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.897   0.200   0.323  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.533  -1.052  -0.171  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.209  -1.499  -0.049  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.892  -2.699  -0.556  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6