REMARK  Name = BDB053962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.843  -0.295  -0.047  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.357   0.422  -0.207  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.602  -0.216  -0.006  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.592  -1.565   0.353  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.898  -1.966   0.492  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -3.186  -2.899   0.749  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.759  -0.927   0.243  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -5.162  -0.881   0.271  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -6.165  -1.967   0.552  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -7.427  -1.140   0.837  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -7.302   0.154   0.019  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.819   0.319  -0.034  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -5.075   1.420  -0.364  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -5.479   2.773  -0.742  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -6.620   3.175  -0.839  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -4.329   3.463  -0.959  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -4.299   4.430  -1.240  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -3.217   2.699  -0.773  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -2.067   3.061  -0.909  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.683   1.370  -0.385  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.414  -2.302   0.519  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.975   0.195  -0.081  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        0.803  -1.645   0.313  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1        2.136   0.425  -0.271  0.00  0.00    +0.164 C 
ATOM     25  O   LIG    1        2.127   1.617  -0.571  0.00  0.00    -0.292 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.434  -0.344  -0.118  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.644   0.543  -0.395  0.00  0.00    +0.103 C 
BRANCH  27  29
ATOM     28  O   LIG    1        5.995  -1.408   0.067  0.00  0.00    -0.276 OA
ATOM     29  C   LIG    1        5.939  -0.224  -0.244  0.00  0.00    +0.214 C 
ATOM     30  N   LIG    1        7.053   0.549  -0.483  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1        6.936   1.497  -0.821  0.00  0.00    +0.149 HD
BRANCH  30  32
ATOM     32  C   LIG    1        8.394  -0.016  -0.463  0.00  0.00    +0.132 C 
BRANCH  32  33
ATOM     33  C   LIG    1        8.899  -0.264   0.959  0.00  0.00    +0.174 C 
BRANCH  33  34
ATOM     34  O   LIG    1        8.944   0.966   1.682  0.00  0.00    -0.393 OA
ATOM     35  H   LIG    1        8.026   1.290   1.707  0.00  0.00    +0.209 HD
ENDBRANCH  33  34
ENDBRANCH  32  33
ENDBRANCH  30  32
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7