REMARK  Name = BDB058175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.790  -0.048  -0.206  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        1.697   1.273  -0.432  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        0.458   1.739  -0.567  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1        0.137   3.107  -0.784  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -1.313   3.190  -0.469  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -1.895   1.771  -0.612  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -1.508   3.786   0.942  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -0.944   5.103   1.078  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        0.230   5.317   0.271  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        1.010   4.028  -0.040  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -0.666   0.945  -0.483  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.502  -0.399  -0.261  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.737  -0.894  -0.103  0.00  0.00    -0.212 NA
ENDROOT
BRANCH  12  14
ATOM     14  N   LIG    1       -1.619  -1.245  -0.150  0.00  0.00    -0.310 N 
ATOM     15  C   LIG    1       -1.337  -2.495   0.605  0.00  0.00    +0.138 C 
ATOM     16  C   LIG    1       -2.589  -3.407   0.606  0.00  0.00    +0.136 C 
ATOM     17  O   LIG    1       -2.885  -3.766  -0.765  0.00  0.00    -0.370 OA
ATOM     18  C   LIG    1       -3.410  -2.531  -1.305  0.00  0.00    +0.136 C 
ATOM     19  C   LIG    1       -4.413  -2.092  -0.242  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -3.854  -2.678   1.051  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -2.240  -1.527  -1.471  0.00  0.00    +0.138 C 
ENDBRANCH  12  14
BRANCH   1  25
ATOM     22  C   LIG    1        5.727  -1.601   0.246  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        5.556  -0.291   0.028  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        4.283   0.166  -0.114  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        3.134  -0.620  -0.047  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        3.357  -1.984   0.181  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        4.655  -2.479   0.328  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  N   LIG    1        7.035  -2.074   0.387  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        7.141  -2.519   1.293  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        7.227  -2.763  -0.333  0.00  0.00    +0.144 HD
ENDBRANCH  22  28
ENDBRANCH   1  25
TORSDOF 3