REMARK  Name = BDB032773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.399   0.773  -0.090  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -4.337   0.070  -0.632  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.322  -1.067  -1.056  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -3.188   0.982  -0.651  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -3.614   2.225  -0.192  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -2.723   3.279  -0.106  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.395   3.054  -0.492  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.969   1.792  -0.971  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -1.886   0.733  -1.045  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -5.069   2.175   0.128  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.880  -3.324  -1.753  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.529  -2.274  -1.218  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.720  -1.075  -1.853  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -8.092  -1.137  -2.790  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -7.362   0.180  -1.432  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -7.474   1.149  -2.185  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -6.779   0.306  -0.025  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -7.022  -0.922   0.849  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.858  -2.249   0.131  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        0.471   1.574  -1.366  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.131   0.947  -0.264  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.458   0.736  -0.472  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        2.963   0.124   0.639  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        2.269  -0.044   1.354  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        3.044   1.060  -1.492  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.283  -0.289   0.888  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        5.335  -0.120  -0.012  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        6.623  -0.554   0.316  0.00  0.00    +0.125 A 
ATOM     29  O   LIG    1        7.586  -0.348  -0.638  0.00  0.00    -0.492 OA
ATOM     30  C   LIG    1        8.931  -0.485  -0.172  0.00  0.00    +0.229 C 
ATOM     31  C   LIG    1        9.123  -1.752   0.643  0.00  0.00    +0.046 C 
ATOM     32  C   LIG    1        8.251  -1.672   1.887  0.00  0.00    +0.042 C 
ATOM     33  C   LIG    1        6.873  -1.190   1.536  0.00  0.00    -0.005 A 
ATOM     34  C   LIG    1        5.822  -1.349   2.444  0.00  0.00    +0.009 A 
ATOM     35  C   LIG    1        4.537  -0.903   2.120  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5