REMARK  Name = BDB031585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.318  -0.204   0.224  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -1.415  -1.124   0.645  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.025   0.271   0.073  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1        0.220   1.465  -0.055  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.563  -0.566  -1.933  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.692  -0.049  -1.239  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.724  -0.162   0.127  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -5.467  -0.759   0.466  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.618  -0.108   0.934  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -3.547  -0.807   1.945  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.429   0.722   0.435  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.806   1.528  -0.808  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.490   0.642  -1.835  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.027  -0.835   0.071  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1        2.416  -0.385  -0.288  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1        3.225  -0.295   0.851  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        4.543   0.119   0.761  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.055   0.430  -0.500  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.247   0.337  -1.643  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.452  -0.639   2.083  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        2.915  -0.070  -1.542  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.256  -1.401   1.490  0.00  0.00    +0.022 C 
ENDBRANCH   3  14
TORSDOF 2