REMARK  Name = BDB011638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.567  -1.216  -1.017  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1        1.318  -0.627  -0.944  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.779   0.186   0.173  0.00  0.00    +0.050 C 
ATOM      4  C   LIG    1        0.705  -0.954  -2.200  0.00  0.00    +0.171 A 
ATOM      5  N   LIG    1        1.549  -1.677  -2.955  0.00  0.00    -0.073 NA
ATOM      6  O   LIG    1        2.695  -1.841  -2.215  0.00  0.00    -0.356 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.059  -2.076   0.383  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        6.415  -0.617   0.684  0.00  0.00    +0.063 C 
ATOM      9  C   LIG    1        5.176   0.178   1.125  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1        4.163   0.065   0.112  0.00  0.00    -0.365 OA
ATOM     11  C   LIG    1        3.725  -1.286  -0.077  0.00  0.00    +0.190 C 
ATOM     12  C   LIG    1        4.886  -2.136  -0.593  0.00  0.00    +0.071 C 
BRANCH   9  13
ATOM     13  C   LIG    1        5.440   1.694   1.398  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1        6.484   1.877   2.514  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        4.124   2.360   1.858  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        5.924   2.433   0.135  0.00  0.00    +0.013 C 
ENDBRANCH   9  13
BRANCH   7  18
ATOM     17  C   LIG    1        5.891  -4.121   1.601  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        5.724  -2.708   1.625  0.00  0.00    -0.380 OA
ENDBRANCH   7  18
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.631  -0.610  -2.717  0.00  0.00    +0.270 C 
ATOM     20  N   LIG    1       -1.604  -0.547  -1.740  0.00  0.00    -0.274 N 
ATOM     21  H   LIG    1       -1.383  -0.973  -0.845  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -0.847  -0.454  -3.915  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -2.923  -0.207  -1.862  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -3.861  -0.545  -0.750  0.00  0.00    +0.289 A 
ATOM     25  O   LIG    1       -3.478  -1.006   0.316  0.00  0.00    -0.264 OA
ATOM     26  N   LIG    1       -5.142  -0.174  -1.153  0.00  0.00    -0.245 N 
ATOM     27  N   LIG    1       -5.024   0.516  -2.397  0.00  0.00    -0.287 N 
ATOM     28  C   LIG    1       -6.064   0.177  -3.378  0.00  0.00    +0.170 C 
ATOM     29  C   LIG    1       -3.668   0.441  -2.771  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -3.217   1.122  -4.023  0.00  0.00    +0.067 C 
BRANCH  26  31
ATOM     31  C   LIG    1       -6.171   0.263  -0.207  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1       -6.623  -0.879   0.716  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1       -7.719  -0.419   1.676  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -7.283   0.802   2.481  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -6.825   1.941   1.574  0.00  0.00    +0.002 C 
ATOM     36  C   LIG    1       -5.731   1.490   0.609  0.00  0.00    +0.027 C 
ENDBRANCH  26  31
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6