REMARK  Name = BDB020647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.295  -2.139   0.273  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.556  -0.955   0.043  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        0.139   0.336  -0.297  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1       -1.902  -1.082   0.199  0.00  0.00    +0.111 A 
ATOM      5  N   LIG    1       -2.400  -2.354   0.579  0.00  0.00    -0.287 N 
ATOM      6  C   LIG    1       -1.605  -3.464   0.823  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1       -2.470  -4.472   1.179  0.00  0.00    +0.138 A 
ATOM      8  N   LIG    1       -3.769  -4.034   1.156  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1       -3.696  -2.772   0.790  0.00  0.00    +0.205 A 
ATOM     10  C   LIG    1       -0.205  -3.329   0.661  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        2.154  -1.995  -1.219  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        1.449  -1.872  -1.938  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        1.773  -2.113   0.092  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        2.541  -2.206   1.041  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        3.530  -1.804  -1.613  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1        4.378   3.856  -2.657  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        4.207   2.413  -2.298  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1        3.477   1.634  -3.160  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        3.076   2.040  -3.996  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        3.218   0.300  -2.972  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1        2.524  -0.332  -3.763  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        3.804  -0.334  -1.744  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.523   0.440  -0.900  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        5.167  -0.024   0.378  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        4.719   1.853  -1.192  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  N   LIG    1       -2.854  -0.064   0.009  0.00  0.00    -0.316 N 
ATOM     27  C   LIG    1       -3.091   0.400  -1.369  0.00  0.00    +0.131 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -3.116   0.974   1.053  0.00  0.00    +0.079 C 
ATOM     29  C   LIG    1       -2.612   0.589   2.448  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -2.898   1.707   3.450  0.00  0.00    +0.161 C 
ATOM     31  O   LIG    1       -4.020   2.513   3.090  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -5.063   1.749   2.498  0.00  0.00    +0.161 C 
ATOM     33  C   LIG    1       -4.627   1.268   1.121  0.00  0.00    +0.050 C 
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 5