REMARK  Name = BDB017701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.832   1.348  -1.041  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.627   1.123  -0.708  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.422   0.303  -1.519  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.772   0.104  -1.214  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.363   0.702  -0.092  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.796   0.435   0.185  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.378   0.945   1.344  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.718   1.042   2.111  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.692   0.485   1.781  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.606   0.339   0.571  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.976  -0.584  -0.477  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.510  -0.308  -0.685  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -4.878  -0.920  -1.885  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -5.517  -1.611  -2.674  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.567   1.542   0.700  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.543  -0.695  -2.063  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.130  -1.120  -2.881  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.214   1.748   0.398  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        4.101  -1.208  -0.120  0.00  0.00    -0.307 N 
ATOM     20  C   LIG    1        2.775  -1.691   0.313  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        1.738  -0.520   0.267  0.00  0.00    +0.107 C 
ATOM     22  N   LIG    1        1.608   0.102  -1.081  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.947   0.332  -1.680  0.00  0.00    +0.107 C 
ATOM     24  C   LIG    1        2.469  -2.720  -0.794  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        3.209  -2.185  -2.033  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1        3.903  -0.897  -1.545  0.00  0.00    +0.089 C 
BRANCH  19  30
ATOM     27  C   LIG    1        6.302   1.188   2.471  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1        5.121   0.565   2.827  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1        4.392  -0.210   1.987  0.00  0.00    -0.239 NA
ATOM     30  C   LIG    1        4.827  -0.392   0.719  0.00  0.00    +0.122 A 
ATOM     31  C   LIG    1        6.022   0.194   0.301  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        6.763   0.994   1.176  0.00  0.00    +0.024 A 
BRANCH  27  34
ATOM     33  N   LIG    1        7.593   2.651   4.170  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        7.015   1.992   3.409  0.00  0.00    +0.101 C 
ENDBRANCH  27  34
ENDBRANCH  19  30
ENDBRANCH   1  22
TORSDOF 4