REMARK  Name = BDB058662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876  -1.671   0.325  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1       -0.273  -1.739   1.591  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.026  -1.227   1.772  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        1.883  -1.064   2.873  0.00  0.00    +0.143 A 
ATOM      5  N   LIG    1        3.027  -0.468   2.553  0.00  0.00    -0.174 NA
ATOM      6  N   LIG    1        2.979  -0.332   1.196  0.00  0.00    -0.232 N 
ATOM      7  C   LIG    1        1.727  -0.692   0.690  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.117  -0.579  -0.573  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -0.179  -1.085  -0.736  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.151   0.119   0.512  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        5.165   0.757   1.248  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.327   1.213   0.617  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        6.499   1.021  -0.757  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        5.505   0.361  -1.488  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        4.340  -0.094  -0.858  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.713   1.482  -1.473  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        7.931   1.346  -2.663  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        8.595   2.096  -0.666  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        9.332   2.340  -1.264  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  C   LIG    1       -2.281  -2.204   0.118  0.00  0.00    +0.072 C 
BRANCH  20  27
ATOM     21  C   LIG    1       -4.134   2.405   1.045  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.279   1.084   0.336  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -5.365   0.832  -0.523  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1       -6.434   1.864  -0.765  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.462  -0.417  -1.147  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -4.476  -1.393  -0.930  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1       -3.355  -1.156  -0.115  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -3.296   0.093   0.530  0.00  0.00    +0.009 A 
BRANCH  26  29
ATOM     29  N   LIG    1       -4.677  -2.682  -1.577  0.00  0.00    +0.057 N 
ATOM     30  O   LIG    1       -4.672  -3.688  -0.853  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1       -4.850  -2.679  -2.803  0.00  0.00    -0.126 OA
ENDBRANCH  26  29
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 6