REMARK  Name = BDB036992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.499  -0.758   0.173  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.121  -0.613   0.052  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        0.247   0.499   0.433  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -1.034   0.131   0.118  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -1.061  -1.085  -0.502  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -2.006  -1.675  -0.986  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.638   1.544   0.922  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.313  -1.577  -0.530  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        0.819  -2.759  -1.028  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.194  -2.955  -0.907  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        3.016  -1.974  -0.305  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.173   1.029   0.255  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -2.552   1.563  -1.129  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -1.724   1.878  -1.982  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.893   1.702  -1.377  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.116   2.114  -2.273  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.845   0.815  -0.951  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.926   0.734  -1.526  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.464  -0.109   0.179  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.353   0.461   1.045  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        3.269   0.190   0.849  0.00  0.00    -0.332 N 
ATOM     22  H   LIG    1        2.774   1.084   0.942  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.664   0.374   0.477  0.00  0.00    +0.190 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.641   2.497   1.770  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.205   1.541   1.189  0.00  0.00    -0.087 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 4