REMARK  Name = BDB032880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.122   0.211  -0.626  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.058   0.783  -0.209  0.00  0.00    -0.266 N 
ATOM      3  H   LIG    1        1.062   1.729   0.148  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.283  -0.974  -0.904  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.608   0.644  -0.413  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.305   1.132  -0.675  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.112   2.490  -0.991  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.192   3.371  -1.004  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.467   2.903  -0.711  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.675   1.551  -0.422  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -3.748  -2.897   0.268  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.962  -1.409   0.145  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -2.796  -0.739  -0.164  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -1.958  -1.311  -0.293  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.075  -0.920   0.300  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.313   0.185  -0.095  0.00  0.00    +0.125 A 
ATOM     17  N   LIG    1        3.247   1.008   0.435  0.00  0.00    -0.238 NA
ATOM     18  C   LIG    1        4.507   0.524   0.586  0.00  0.00    +0.145 A 
ATOM     19  C   LIG    1        4.872  -0.759   0.219  0.00  0.00    +0.144 A 
ATOM     20  C   LIG    1        3.906  -1.598  -0.333  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.605  -1.114  -0.493  0.00  0.00    +0.046 A 
BRANCH  19  22
ATOM     22  N   LIG    1        6.243  -1.209   0.410  0.00  0.00    +0.058 N 
ATOM     23  O   LIG    1        7.049  -0.406   0.901  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        6.521  -2.366   0.068  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH   2  16
TORSDOF 4