REMARK  Name = BDB063902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.195  -1.040   0.763  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.148  -1.317   2.084  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.607  -1.735   2.596  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -1.347  -1.013   2.641  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -1.702  -1.142   3.795  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -2.114  -0.492   1.477  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -3.381  -0.074   1.595  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -1.324  -0.548   0.349  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -4.240   0.443   0.518  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.616   0.165   0.579  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -6.460   0.679  -0.423  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.972   1.467  -1.467  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.921   1.903  -2.378  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -8.102   1.449  -2.027  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.595   1.753  -1.508  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -8.163   0.491  -0.610  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.747   1.244  -0.515  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.857  -1.261  -0.066  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        0.680  -0.890  -0.996  0.00  0.00    +0.149 HD
BRANCH  18  23
ATOM     20  C   LIG    1        4.651  -0.122  -1.132  0.00  0.00    +0.118 C 
ATOM     21  C   LIG    1        3.443   0.711  -0.669  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        2.790   0.113   0.577  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1        2.258  -1.309   0.323  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1        3.043  -2.048  -0.775  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        4.501  -1.614  -0.797  0.00  0.00    +0.033 C 
BRANCH  20  27
ATOM     26  C   LIG    1        6.472   1.416  -1.138  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1        5.844   0.324  -0.478  0.00  0.00    -0.380 OA
ENDBRANCH  20  27
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4