REMARK  Name = BDB062325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.742  -0.383  -1.058  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1        3.283  -0.222  -0.742  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        2.459  -1.320  -0.465  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        3.012  -2.719  -0.462  0.00  0.00    +0.066 C 
ATOM      5  N   LIG    1        1.139  -1.230  -0.194  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.631   0.022  -0.205  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.343   1.197  -0.426  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        0.426   2.290  -0.302  0.00  0.00    +0.085 A 
ATOM      9  C   LIG    1       -0.825   1.738  -0.055  0.00  0.00    +0.115 A 
ATOM     10  N   LIG    1       -0.694   0.354   0.027  0.00  0.00    -0.281 N 
ATOM     11  C   LIG    1        2.713   1.059  -0.724  0.00  0.00    +0.017 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -1.746  -0.569   0.293  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1       -2.409  -0.529   1.548  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.965   0.378   2.667  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -3.496  -1.397   1.735  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1       -3.871  -2.315   0.759  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -3.187  -2.367  -0.452  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -2.133  -1.482  -0.718  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1       -1.475  -1.560  -2.070  0.00  0.00    +0.046 C 
BRANCH  15  20
ATOM     20  O   LIG    1       -4.253  -1.410   2.875  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -4.061  -0.616   3.396  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH  10  12
BRANCH   8  22
ATOM     22  C   LIG    1        0.671   3.719  -0.431  0.00  0.00    +0.245 C 
ATOM     23  O   LIG    1       -0.182   4.534  -0.772  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        1.925   4.143  -0.087  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        2.027   5.145  -0.004  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        2.496   3.567   0.515  0.00  0.00    +0.145 HD
ENDBRANCH   8  22
BRANCH   9  27
ATOM     27  N   LIG    1       -2.024   2.368   0.081  0.00  0.00    -0.344 N 
ATOM     28  H   LIG    1       -2.083   3.334  -0.255  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -2.886   1.853  -0.094  0.00  0.00    +0.144 HD
ENDBRANCH   9  27
TORSDOF 4