REMARK  Name = BDB057605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035  -0.523  -0.539  0.00  0.00    +0.148 A 
ATOM      2  C   LIG    1       -1.379  -0.651  -0.248  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -1.901  -1.395  -1.349  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -3.299  -1.838  -1.588  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.954  -1.695  -2.251  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        0.162  -1.154  -1.730  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.043  -1.235  -2.223  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        0.987   0.071   0.117  0.00  0.00    -0.221 N 
ATOM      9  H   LIG    1        0.774   0.531   1.010  0.00  0.00    +0.176 HD
BRANCH   8  11
ATOM     10  C   LIG    1        3.107   0.739   0.353  0.00  0.00    +0.138 C 
ATOM     11  N   LIG    1        2.250   0.107  -0.385  0.00  0.00    -0.189 NA
BRANCH  10  15
ATOM     12  C   LIG    1        7.213   1.198  -0.747  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        6.350   0.478  -1.575  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.005   0.323  -1.222  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.522   0.885  -0.038  0.00  0.00    -0.005 A 
ATOM     16  C   LIG    1        5.379   1.607   0.794  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        6.720   1.760   0.435  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        9.111   0.815  -2.125  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        8.542   1.427  -0.975  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  10  15
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1       -2.028  -0.116   0.930  0.00  0.00    +0.345 C 
ATOM     21  O   LIG    1       -1.425   0.495   1.808  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.367  -0.353   0.952  0.00  0.00    -0.456 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.033   0.186   2.096  0.00  0.00    +0.268 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.510  -0.105   1.986  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -6.216   0.202   0.813  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -7.588  -0.038   0.726  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.271  -0.580   1.813  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.584  -0.882   2.986  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.211  -0.644   3.074  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 8