REMARK  Name = BDB025329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.231  -0.671   0.186  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -0.890  -0.745   0.046  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -0.238   0.428   0.179  0.00  0.00    +0.145 A 
ATOM      4  C   LIG    1       -0.805   1.669   0.415  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.257   2.620   0.452  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.456   1.926   0.242  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        2.695   2.588   0.211  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        2.709   3.974   0.399  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        1.532   4.681   0.612  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.302   4.018   0.641  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.199   1.716   0.546  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        1.125   0.589   0.099  0.00  0.00    -0.313 N 
ATOM     13  C   LIG    1       -2.911   0.515   0.430  0.00  0.00    +0.044 A 
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1        2.062  -0.505  -0.147  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1        1.895  -1.633   0.866  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1        1.767  -1.445   2.075  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1        2.010  -2.916   0.381  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        1.919  -3.648   1.073  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        2.594  -3.296  -0.799  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        2.933  -4.460  -0.995  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        2.895  -2.194  -1.786  0.00  0.00    +0.099 C 
ATOM     22  C   LIG    1        1.962  -1.012  -1.588  0.00  0.00    +0.044 C 
ENDBRANCH  12  14
BRANCH   1  25
ATOM     23  C   LIG    1       -5.270  -1.543   0.403  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -4.089  -2.417   0.107  0.00  0.00    +0.215 C 
ATOM     25  N   LIG    1       -2.828  -1.924   0.047  0.00  0.00    -0.271 N 
ATOM     26  H   LIG    1       -2.142  -2.644  -0.141  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1       -4.253  -3.625  -0.088  0.00  0.00    -0.276 OA
ENDBRANCH   1  25
TORSDOF 2