REMARK  Name = BDB036962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.787  -0.699  -2.808  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.091  -0.414  -1.612  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -0.495  -0.105  -0.397  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        0.299   0.045   0.743  0.00  0.00    +0.262 A 
ATOM      5  O   LIG    1       -0.151   0.179   1.879  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        1.756   0.022   0.549  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        2.230  -0.222  -0.732  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1        3.612  -0.248  -0.947  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        4.514   0.009   0.092  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        4.014   0.193   1.384  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        2.638   0.220   1.616  0.00  0.00    +0.017 A 
ATOM     12  N   LIG    1        1.370  -0.463  -1.807  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.956  -0.058  -0.200  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -2.426  -1.287   0.587  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -1.903  -2.395   0.480  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.566  -1.123   1.341  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.882  -1.941   1.843  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.401  -0.035   1.379  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.472  -0.080   1.978  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.984   1.170   0.569  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.471   1.245   0.422  0.00  0.00    +0.044 C 
ENDBRANCH   3  13
BRANCH   9  22
ATOM     22  N   LIG    1        5.889  -0.139  -0.115  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1        6.186   0.027  -1.072  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1        6.469   0.350   0.560  0.00  0.00    +0.142 HD
ENDBRANCH   9  22
TORSDOF 2