REMARK  Name = BDB006957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.175  -2.031   1.218  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.046  -1.567   0.748  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.777  -2.131  -0.317  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.967  -1.427  -0.526  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        3.848  -1.789  -1.541  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.521  -2.874  -2.354  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        2.325  -3.583  -2.148  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.130  -0.287   0.466  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        4.292  -0.645   1.416  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        1.446  -3.210  -1.123  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        1.786  -0.393   1.252  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -0.697  -3.083   0.839  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        3.256   1.080  -0.219  0.00  0.00    -0.036 A 
ATOM     14  C   LIG    1        2.290   1.487  -1.163  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.365   2.731  -1.793  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.411   3.597  -1.500  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.380   3.219  -0.576  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.304   1.974   0.058  0.00  0.00    +0.004 A 
ENDBRANCH   8  13
BRANCH   7  19
ATOM     19  C   LIG    1        2.003  -4.694  -2.997  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1        1.763  -5.593  -3.691  0.00  0.00    -0.191 NA
ENDBRANCH   7  19
BRANCH   1  21
ATOM     21  C   LIG    1       -0.903  -1.156   2.258  0.00  0.00    +0.181 C 
BRANCH  21  28
ATOM     22  C   LIG    1       -5.229   0.970   3.445  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.394   0.414   2.291  0.00  0.00    +0.065 C 
ATOM     24  N   LIG    1       -4.241   1.439   1.240  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -4.596   2.342   1.551  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.845   1.583   0.813  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -2.104   0.233   0.583  0.00  0.00    +0.092 C 
ATOM     28  N   LIG    1       -2.212  -0.700   1.744  0.00  0.00    -0.287 NA
ATOM     29  C   LIG    1       -3.054  -0.167   2.825  0.00  0.00    +0.103 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -2.638  -0.491  -0.672  0.00  0.00    +0.163 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.452   0.269  -1.897  0.00  0.00    -0.270 N 
ATOM     32  N   LIG    1       -1.216   0.666  -2.268  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1       -1.422   1.285  -3.433  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -2.780   1.307  -3.798  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -3.424   0.643  -2.781  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 6