REMARK  Name = BDB018963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.987   0.113  -0.380  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        3.307   0.604  -1.498  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.900   0.657  -1.530  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        1.212   1.138  -2.778  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -0.124   0.431  -2.905  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -0.965   0.701  -1.665  0.00  0.00    +0.113 C 
ATOM      7  N   LIG    1       -0.270   0.367  -0.405  0.00  0.00    -0.284 N 
ATOM      8  C   LIG    1        1.138   0.274  -0.410  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        1.836  -0.258   0.687  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.235  -0.331   0.709  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.130   0.612   0.708  0.00  0.00    +0.145 A 
ATOM     12  N   LIG    1       -2.426   0.227   0.620  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -3.190   0.495   1.714  0.00  0.00    +0.117 A 
ATOM     14  C   LIG    1       -2.659   1.142   2.825  0.00  0.00    +0.157 A 
ATOM     15  N   LIG    1       -3.652   1.278   3.753  0.00  0.00    -0.344 N 
ATOM     16  H   LIG    1       -3.523   1.718   4.653  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1       -4.817   0.734   3.267  0.00  0.00    +0.095 A 
ATOM     18  N   LIG    1       -1.393   1.571   2.971  0.00  0.00    -0.233 NA
ATOM     19  C   LIG    1       -4.560   0.236   2.001  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -0.664   1.277   1.858  0.00  0.00    +0.157 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.506  -0.432   1.117  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.287  -1.019  -0.108  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1       -6.493  -1.505  -0.516  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1       -6.773  -2.213  -1.741  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1       -7.491  -1.272   0.358  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1       -6.884  -0.619   1.354  0.00  0.00    +0.143 A 
ENDBRANCH  19  21
ENDBRANCH   7  11
BRANCH   1  31
ATOM     27  C   LIG    1        8.677  -1.234   0.554  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.507  -0.554   0.054  0.00  0.00    -0.274 N 
ATOM     29  N   LIG    1        7.654   0.485  -0.786  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.397   0.858  -1.043  0.00  0.00    +0.142 A 
ATOM     31  C   LIG    1        5.439   0.062  -0.369  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.203  -0.848   0.333  0.00  0.00    +0.116 A 
ENDBRANCH   1  31
TORSDOF 3