REMARK  Name = BDB053723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.794   0.963  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1        0.955  -1.926   0.216  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.181  -2.516  -0.331  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1       -0.191  -3.618  -1.120  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1        1.027  -4.144  -1.359  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        2.224  -3.657  -0.865  0.00  0.00    +0.020 A 
ATOM      7  N   LIG    1       -1.302  -1.839   0.152  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        2.200  -2.526  -0.056  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -0.861  -0.720   0.862  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.185   0.309   2.914  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.357   0.149   1.707  0.00  0.00    +0.249 C 
ATOM     12  N   LIG    1        2.333   0.843   0.998  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.211   1.748   1.738  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.477   2.091   0.937  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.229   2.686  -0.389  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.939   2.346  -1.037  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        2.888   2.365  -0.904  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.336   0.997  -0.463  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.654  -2.264  -0.034  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -3.060  -2.822  -1.252  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.381  -3.244  -1.426  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.297  -3.125  -0.384  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.894  -2.593   0.840  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.575  -2.168   1.019  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  C   LIG    1       -1.744   0.408   1.329  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.431   1.718   0.633  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -0.822   2.771   1.330  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -0.534   3.974   0.684  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -0.853   4.137  -0.663  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.459   3.098  -1.367  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.749   1.895  -0.723  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4