REMARK  Name = BDB018741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.017   1.331   1.454  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1        3.694   0.948   0.870  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1        3.998   0.025  -0.326  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1        3.872   0.829  -1.622  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1        4.829   1.349  -2.191  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1        2.600   1.029  -2.093  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        2.509   1.678  -2.865  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        1.480   0.326  -1.641  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.651  -0.752  -0.769  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        0.529  -1.470  -0.336  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.764  -1.110  -0.753  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1       -0.904  -0.027  -1.636  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.211   0.685  -2.086  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        3.044  -1.174  -0.387  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        5.439  -0.426  -0.072  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        6.089   0.775   0.594  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.939  -1.864  -0.284  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.927  -1.287   0.536  0.00  0.00    +0.136 A 
ATOM     19  C   LIG    1       -4.007  -2.047   1.006  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -4.141  -3.380   0.625  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.190  -3.961  -0.209  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.097  -3.212  -0.654  0.00  0.00    +0.012 A 
BRANCH  18  23
ATOM     23  O   LIG    1       -2.762   0.019   0.952  0.00  0.00    -0.455 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.807   0.896   0.758  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1       -3.959   1.893   1.722  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.971   2.846   1.591  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.822   2.809   0.487  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.659   1.825  -0.488  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.647   0.872  -0.359  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  11  17
BRANCH   1  31
ATOM     30  N   LIG    1        5.335   3.272   2.992  0.00  0.00    -0.174 NA
ATOM     31  C   LIG    1        5.190   2.372   2.279  0.00  0.00    +0.169 C 
ENDBRANCH   1  31
TORSDOF 4