REMARK  Name = BDB020651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123  -0.250   1.847  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.704  -0.042   0.505  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        0.212   0.602  -0.506  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -1.986  -0.454   0.279  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1       -2.669  -1.087   1.350  0.00  0.00    -0.284 N 
ATOM      6  C   LIG    1       -2.115  -1.307   2.606  0.00  0.00    +0.162 A 
ATOM      7  N   LIG    1       -2.975  -1.934   3.378  0.00  0.00    -0.130 NA
ATOM      8  N   LIG    1       -4.122  -2.131   2.652  0.00  0.00    -0.137 NA
ATOM      9  C   LIG    1       -3.931  -1.617   1.458  0.00  0.00    +0.230 A 
ATOM     10  C   LIG    1       -0.799  -0.853   2.843  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        2.146  -0.820   2.342  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        1.862  -1.766   2.111  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        1.253   0.210   2.190  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        1.530   1.399   2.263  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        3.568  -0.588   2.460  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1        5.933  -1.036  -2.837  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        5.336  -0.818  -1.481  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1        4.860  -1.922  -0.821  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        4.913  -2.836  -1.255  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        4.269  -1.892   0.416  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1        3.822  -2.911   0.935  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        4.178  -0.553   1.089  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.659   0.529   0.436  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        4.645   1.942   0.953  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        5.244   0.382  -0.891  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1       -2.718  -0.278  -1.060  0.00  0.00    +0.101 C 
ATOM     27  C   LIG    1       -2.777  -1.655  -1.751  0.00  0.00    +0.031 C 
BRANCH  26  28
ATOM     28  N   LIG    1       -4.032   0.389  -0.905  0.00  0.00    -0.290 NA
ATOM     29  C   LIG    1       -4.835   0.492  -2.146  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1       -4.718   1.854  -2.847  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -5.151   2.948  -2.030  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -5.059   2.672  -0.627  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -3.885   1.740  -0.293  0.00  0.00    +0.113 C 
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 5