REMARK  Name = BDB051662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.722  -1.181   0.110  0.00  0.00    +0.217 C 
ATOM      2  N   LIG    1       -0.550  -0.853   0.562  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -1.409   0.182  -0.034  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.000   1.623   0.336  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -1.848   2.578  -0.360  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -1.513   3.516  -0.547  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.211   2.410  -0.461  0.00  0.00    +0.244 C 
ATOM      8  C   LIG    1       -3.757   1.105   0.013  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -5.133   0.968   0.216  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.641  -0.216   0.750  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.776  -1.250   1.113  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.395  -1.118   0.923  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -2.441  -2.189   1.383  0.00  0.00    +0.054 C 
ATOM     14  O   LIG    1       -3.933   3.297  -0.896  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.885   0.042   0.316  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -1.087  -1.559   1.725  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1        1.433  -1.992   0.708  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.185  -0.591  -1.216  0.00  0.00    +0.105 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.708  -0.628  -1.339  0.00  0.00    +0.105 C 
BRANCH  19  22
ATOM     20  C   LIG    1        5.573  -0.670  -0.886  0.00  0.00    +0.131 C 
ATOM     21  N   LIG    1        4.747   0.411  -0.371  0.00  0.00    -0.308 N 
ATOM     22  C   LIG    1        3.357   0.420  -0.445  0.00  0.00    +0.216 C 
ATOM     23  O   LIG    1        2.671   1.254   0.149  0.00  0.00    -0.276 OA
ATOM     24  C   LIG    1        5.385   1.297   0.590  0.00  0.00    +0.131 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3