REMARK  Name = BDB016139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.060   1.064   0.762  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.319   0.459   0.432  0.00  0.00    +0.060 A 
ATOM      3  N   LIG    1       -1.281  -0.761  -0.261  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.405  -0.845  -0.782  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.399  -1.301  -1.012  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.531  -1.674  -0.089  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.371  -0.512   0.321  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.821   0.635   0.784  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.547   1.265   1.103  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.604  -0.598   0.304  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.769  -0.436  -2.214  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.491   1.082   0.922  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.392   2.303   1.623  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.166   2.897   1.897  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.004   2.273   1.477  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     16  C   LIG    1        2.692   0.337   2.467  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        2.399   0.161   1.023  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        3.277  -0.373   0.029  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.566  -0.357  -1.163  0.00  0.00    +0.136 A 
ATOM     20  C   LIG    1        3.069  -0.801  -2.385  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        4.379  -1.289  -2.380  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        5.131  -1.324  -1.204  0.00  0.00    +0.001 A 
ATOM     23  O   LIG    1        1.321   0.147  -0.964  0.00  0.00    -0.454 OA
ATOM     24  C   LIG    1        4.595  -0.870   0.011  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        1.219   0.470   0.360  0.00  0.00    +0.141 A 
ENDBRANCH   1  25
TORSDOF 1