REMARK  Name = BDB053014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.192  -3.398  -0.797  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.758  -2.265  -0.620  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        2.636  -1.162  -0.150  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        2.120   0.124   0.084  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        2.997   1.157   0.427  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        4.361   0.893   0.597  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        4.861  -0.394   0.410  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.720   0.308  -0.090  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -0.062  -0.699  -0.628  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1       -1.335  -0.225  -0.861  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.372   1.101  -0.331  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.404   2.062  -0.233  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.183   3.258   0.450  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.958   3.499   1.053  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        0.085   2.571   0.958  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -0.112   1.384   0.223  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1        4.002  -1.421   0.027  0.00  0.00    +0.015 A 
ATOM     18  N   LIG    1        0.444  -1.955  -0.875  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -0.140  -2.707  -1.225  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1       -2.477  -0.966  -1.486  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.177  -1.865  -0.535  0.00  0.00    +0.153 A 
ATOM     22  N   LIG    1       -3.385  -1.580   0.786  0.00  0.00    -0.242 N 
ATOM     23  H   LIG    1       -3.100  -0.776   1.333  0.00  0.00    +0.192 HD
ATOM     24  N   LIG    1       -4.064  -2.576   1.367  0.00  0.00    -0.047 NA
ATOM     25  N   LIG    1       -4.263  -3.466   0.406  0.00  0.00    -0.023 NA
ATOM     26  N   LIG    1       -3.719  -3.039  -0.782  0.00  0.00    -0.113 NA
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 2