REMARK  Name = BDB010505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.725   2.370   0.684  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -0.109   1.146   0.466  0.00  0.00    -0.319 N 
ATOM      3  C   LIG    1        1.179   1.391   0.033  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.223   2.769  -0.109  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1        2.279   3.450  -0.577  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        3.289   2.645  -0.906  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1        3.356   1.290  -0.794  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1        2.296   0.622  -0.292  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        0.060   3.353   0.290  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.394   4.007   0.032  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.362   3.336   0.888  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -3.055   3.162   0.414  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -2.075   2.560   1.214  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -2.399   2.176   2.520  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -3.694   2.361   3.007  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.670   2.938   2.194  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1        4.537   3.272  -1.471  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1        4.739   4.460  -1.651  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1        5.457   2.308  -1.769  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1        5.077   1.425  -1.550  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  N   LIG    1        2.352  -0.754  -0.138  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.795  -1.100   0.632  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.634  -1.448  -0.285  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1        3.323  -2.910  -0.611  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.488  -1.285   0.979  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        4.019  -1.886   2.335  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        5.512  -2.063   2.684  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        5.789  -2.118   1.167  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  29
ATOM     29  C   LIG    1       -0.741  -0.155   0.604  0.00  0.00    +0.127 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.017  -0.885  -0.729  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -2.093  -0.187  -1.586  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -3.493  -0.722  -1.300  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -3.611  -2.225  -1.613  0.00  0.00    -0.014 C 
ATOM     34  C   LIG    1       -4.243  -2.462  -2.985  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -2.259  -2.955  -1.520  0.00  0.00    +0.003 C 
ATOM     36  C   LIG    1       -1.381  -2.354  -0.430  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 8