REMARK  Name = BDB015868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.183   1.558   0.445  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.589   0.518   0.075  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.922   0.695  -0.013  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.504   1.925   0.308  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.625   2.929   0.672  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.290   2.779   0.745  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.602  -0.130   0.223  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.219   0.103   0.156  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.642   1.338   0.524  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.516   2.347   0.966  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.894   2.134   1.042  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.433   0.902   0.673  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.655  -3.716  -1.365  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.507  -2.995  -0.873  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.362  -3.659  -0.637  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.532  -2.703  -0.209  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.141  -1.425  -0.163  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.427  -1.659  -0.607  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.926   2.200   0.269  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.896   1.455   0.907  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -6.084   2.071   0.644  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -7.393   1.667   1.097  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.957   3.172  -0.119  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.642   3.257  -0.335  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.759  -0.390  -0.401  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.462  -0.029  -1.043  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.313  -1.753  -0.713  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -1.174  -2.464  -0.047  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -1.081  -2.081  -1.502  0.00  0.00    +0.024 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5