REMARK  Name = BDB029501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.582   1.772  -1.792  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        4.672   1.217  -1.183  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        4.488  -0.138  -1.275  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        5.087  -0.568  -1.969  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        3.271  -0.758  -1.134  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1        2.989  -1.741  -1.811  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        2.340  -0.141  -0.106  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        0.925  -0.736  -0.185  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.421  -0.675   1.184  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1       -0.899  -0.683   1.598  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -1.235  -0.423   2.751  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        1.483  -0.400   2.131  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        2.763  -0.541   1.321  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        2.317   1.379  -0.334  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        3.719   1.974  -0.290  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.945  -0.990   0.600  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -2.993  -0.106   0.391  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -3.305   1.187   1.063  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -4.391   1.736   0.121  0.00  0.00    +0.106 C 
ATOM     20  N   LIG    1       -5.012   0.594  -0.573  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -5.324   0.782  -1.522  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -3.991  -0.386  -0.541  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1       -3.992  -1.575  -1.249  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.948  -2.482  -1.038  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -1.930  -2.194  -0.116  0.00  0.00    +0.013 A 
ENDBRANCH  10  16
TORSDOF 1