REMARK  Name = BDB051952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.925   1.470   1.137  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -2.017   0.685   0.675  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.308   1.193   0.834  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.517   2.452   1.406  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.434   3.221   1.845  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -1.133   2.727   1.711  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.583   1.385   1.306  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        0.352   0.908   0.925  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        0.314   0.019   0.438  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.783   2.357   2.025  0.00  0.00    -0.270 OA
BRANCH   7  19
ATOM     11  C   LIG    1        6.905  -1.638   0.530  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1        6.009  -0.780   1.356  0.00  0.00    +0.229 C 
ATOM     13  N   LIG    1        4.739  -0.441   0.830  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1        4.106  -0.807  -0.370  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.852  -0.162  -0.402  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.033  -0.315  -1.548  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.437  -1.127  -2.607  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.652  -1.785  -2.549  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.697   0.569   0.817  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1        4.498  -1.634  -1.446  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.870   0.393   1.515  0.00  0.00    +0.108 A 
ATOM     22  O   LIG    1        6.326  -0.362   2.466  0.00  0.00    -0.273 OA
ENDBRANCH   7  19
ENDBRANCH   1   8
BRANCH   2  23
ATOM     23  N   LIG    1       -1.726  -0.607   0.196  0.00  0.00    -0.339 N 
ATOM     24  H   LIG    1       -1.486  -1.189   1.004  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.579  -1.365  -0.734  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1       -2.981  -0.575  -1.976  0.00  0.00    +0.050 C 
ATOM     27  C   LIG    1       -3.770  -1.460  -2.938  0.00  0.00    +0.161 C 
ATOM     28  O   LIG    1       -4.476  -2.523  -2.293  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.946  -2.177  -0.995  0.00  0.00    +0.161 C 
ATOM     30  C   LIG    1       -3.764  -2.047  -0.045  0.00  0.00    +0.050 C 
ENDBRANCH  23  25
ENDBRANCH   2  23
BRANCH   5  31
ATOM     31  C   LIG    1       -2.720   4.548   2.442  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -3.827   5.029   2.603  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -1.610   5.210   2.806  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -1.937   6.053   3.182  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH   5  31
TORSDOF 6