REMARK  Name = BDB020567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.429  -0.784  -2.322  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -4.367  -1.209  -0.858  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -3.137  -0.758  -0.227  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -2.027  -1.558  -0.140  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -1.092  -0.790   0.515  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -1.612   0.445   0.810  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -2.038  -2.910  -0.726  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -3.366  -3.484  -0.553  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -3.463  -4.932  -0.609  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.854   0.447   0.367  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -4.519  -2.730  -0.762  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -5.631  -3.246  -0.897  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.267  -1.174   0.841  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.382  -0.460   0.325  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.684  -0.880   0.664  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.791  -0.189   0.151  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.599   0.903  -0.693  0.00  0.00    +0.045 A 
ATOM     18  N   LIG    1        2.364   1.326  -1.038  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1        2.857  -1.986   1.514  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.760  -2.672   2.030  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.303   0.654  -0.525  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.470  -2.268   1.697  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.758   1.688  -1.274  0.00  0.00    +0.042 C 
ATOM     24  C   LIG    1        5.643   2.349  -0.203  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        6.984   1.642  -0.070  0.00  0.00    +0.160 C 
ATOM     26  O   LIG    1        7.717   1.593  -1.293  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        6.933   1.506  -2.483  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        5.584   0.845  -2.256  0.00  0.00    +0.038 C 
ENDBRANCH  17  23
ENDBRANCH   5  13
BRANCH  10  29
ATOM     29  C   LIG    1       -3.830   1.588   0.495  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -3.150   2.948   0.278  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -2.401   3.436   1.514  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -3.258   3.422   2.656  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.682   2.097   2.972  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -4.549   1.543   1.849  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3