REMARK  Name = BDB063841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.421   1.931   0.165  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.120   1.712  -0.064  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.149   2.833  -0.189  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.345   4.028  -0.112  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.018   2.181  -0.418  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.887   2.650  -0.590  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.780   0.851  -0.448  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.459   0.515  -0.244  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        7.057  -2.895   0.990  0.00  0.00    +0.173 C 
ATOM     10  N   LIG    1        6.795  -1.547   0.546  0.00  0.00    -0.267 N 
ATOM     11  C   LIG    1        5.583  -0.898   0.556  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        5.844   0.365   0.036  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.791   1.290  -0.097  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        3.488   0.923   0.289  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        3.269  -0.351   0.827  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        7.229   0.361  -0.235  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1        4.303  -1.288   0.966  0.00  0.00    +0.028 A 
ATOM     18  N   LIG    1        7.814  -0.798   0.079  0.00  0.00    -0.179 NA
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -1.761  -0.058  -0.677  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.424  -1.010  -0.554  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.182   0.124  -0.406  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.403   0.071   1.113  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -4.813  -0.246   1.606  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.941   0.395   0.805  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -6.368  -0.454  -0.391  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -5.381  -0.485  -1.551  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.964  -0.936  -1.194  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3