REMARK  Name = BDB014800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.569  -0.288   0.170  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.918  -1.225   0.321  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.373  -3.026  -0.571  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.971  -1.667  -0.302  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.088  -0.612  -0.105  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.646  -0.828   0.138  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.881   0.432  -0.051  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.482   0.694  -0.038  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.252   1.995  -0.245  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.464   2.554  -0.403  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.556   3.969  -0.666  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.473   1.657  -0.271  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.934   1.889  -0.360  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.658   0.693   0.292  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -7.195  -1.529  -0.278  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.844  -0.264   0.204  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.611   0.882  -0.018  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.012   0.843   0.036  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.697  -0.346   0.316  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        2.931  -1.497   0.541  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.531  -1.455   0.487  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.167  -0.385   0.372  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        5.897  -1.313  -0.390  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        7.297  -1.349  -0.337  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        7.986  -0.453   0.485  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        7.279   0.474   1.247  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.883   0.507   1.190  0.00  0.00    +0.008 A 
BRANCH  24  28
ATOM     28  C   LIG    1        8.019  -2.305  -1.123  0.00  0.00    +0.099 C 
ATOM     29  N   LIG    1        8.605  -3.081  -1.758  0.00  0.00    -0.191 NA
ENDBRANCH  24  28
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 4