REMARK  Name = BDB031305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.062   0.993   0.826  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -0.843   1.032   0.187  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.328   1.476   2.078  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1       -1.650   1.522   2.438  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -1.787   2.128   3.239  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        0.498   1.933   2.864  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.775   0.806   1.987  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -2.692  -0.372   1.232  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.879  -0.977   0.882  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -5.118  -0.468   1.262  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1       -6.101  -1.310   0.757  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -7.098  -1.224   0.865  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1       -5.483  -2.360   0.062  0.00  0.00    +0.325 A 
ATOM     14  O   LIG    1       -6.038  -3.284  -0.503  0.00  0.00    -0.247 OA
ATOM     15  C   LIG    1       -5.237   0.667   2.022  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1       -4.100  -2.138   0.148  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -3.411  -2.749  -0.259  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1       -4.043   1.301   2.392  0.00  0.00    +0.025 A 
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  C   LIG    1        3.648   0.156  -1.028  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        3.601   0.423   0.345  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.387   0.705   0.983  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.198   0.733   0.256  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        1.242   0.458  -1.114  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.457   0.174  -1.752  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  C   LIG    1        6.674  -0.634  -3.136  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        5.200  -0.405  -2.912  0.00  0.00    +0.214 C 
ATOM     27  N   LIG    1        4.911  -0.118  -1.590  0.00  0.00    -0.286 N 
ATOM     28  H   LIG    1        5.693  -0.093  -0.948  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1        4.409  -0.460  -3.846  0.00  0.00    -0.276 OA
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 3