REMARK  Name = BDB023103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.093  -2.833  -0.268  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        3.150  -1.966  -0.127  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.626  -0.754  -0.183  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1        1.251  -0.820  -0.316  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.436   0.322  -0.382  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.975   1.508  -0.359  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.348   1.587  -0.225  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        3.212   0.549  -0.128  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        0.909  -2.149  -0.401  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.665   0.834   0.022  0.00  0.00    +0.098 A 
ATOM     11  N   LIG    1        5.015   2.087   0.409  0.00  0.00    -0.149 NA
ATOM     12  N   LIG    1        6.332   2.434   0.576  0.00  0.00    -0.157 NA
ATOM     13  C   LIG    1        7.289   1.517   0.356  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1        6.991   0.230  -0.039  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        5.653  -0.116  -0.209  0.00  0.00    +0.032 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  N   LIG    1        2.411  -5.406  -0.290  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        2.281  -4.252  -0.279  0.00  0.00    +0.121 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -0.929   0.199  -0.498  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.291   1.101  -0.805  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.697  -0.218   0.671  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.129  -0.425   0.281  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.049   0.618   0.208  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.873   2.073   0.434  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.341   2.501   0.466  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.132   1.517  -0.239  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.357   0.388  -0.201  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.811  -0.867  -0.555  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.909  -1.928  -0.483  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.589  -1.701  -0.072  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -2.746  -2.744  -0.024  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5