REMARK  Name = BDB018572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.289   2.248   0.204  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        0.119   2.095  -0.204  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.853   3.217  -0.349  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.342   4.485  -0.132  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        1.218   5.630  -0.329  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -0.974   4.697   0.254  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -1.484   5.794   0.459  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.797   3.475   0.423  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.964  -0.986   0.774  0.00  0.00    +0.041 A 
ATOM     10  N   LIG    1       -4.140  -0.168  -0.290  0.00  0.00    -0.259 NA
ATOM     11  C   LIG    1       -3.271   0.860  -0.435  0.00  0.00    +0.119 A 
ATOM     12  C   LIG    1       -2.217   1.124   0.435  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.060   0.269   1.527  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.938  -0.800   1.698  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.363  -3.396   0.232  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -4.912  -2.149   0.907  0.00  0.00    +0.052 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        0.707   0.808  -0.441  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.906   0.356   0.067  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.096  -0.933  -0.402  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.071  -1.302  -1.199  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.239  -0.262  -1.218  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.190  -1.814  -0.135  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        3.259  -3.119  -0.671  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        4.370  -3.931  -0.366  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        5.399  -3.471   0.454  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.333  -2.190   0.983  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.242  -1.367   0.693  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1        2.269  -3.723  -1.526  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        1.542  -4.313  -2.215  0.00  0.00    -0.191 NA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5