REMARK  Name = BDB036255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.158  -0.947   0.313  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.646   0.333  -0.057  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.295   0.410  -0.324  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.033   1.698  -0.721  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.236   2.366  -0.638  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.568  -0.694  -0.209  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.095  -1.866   0.116  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.228   1.508  -0.207  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.262  -1.959   0.361  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.850  -2.831   0.609  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.603  -2.044   0.749  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.572  -0.967   1.538  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.310  -0.494   1.416  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -3.954   0.663   2.206  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.525  -1.256   0.579  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.353  -2.273   0.138  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1        1.917  -0.559  -0.453  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.303  -1.496  -0.565  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.738   0.161   0.515  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.146   0.259  -0.000  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        5.116  -0.758   0.167  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        6.388  -0.575  -0.367  0.00  0.00    +0.135 A 
ATOM     23  O   LIG    1        7.174  -1.654  -0.103  0.00  0.00    -0.463 OA
ATOM     24  C   LIG    1        6.417  -2.537   0.596  0.00  0.00    +0.196 A 
ATOM     25  C   LIG    1        6.791   0.556  -1.073  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.831   1.554  -1.240  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        5.149  -2.039   0.789  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        4.547   1.403  -0.718  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.667   2.398  -0.906  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  30
ATOM     30  C   LIG    1       -1.554   3.782  -0.980  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.162   3.809  -2.307  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1       -2.593   4.718  -2.453  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -2.927   3.131  -2.305  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6