REMARK  Name = BDB051287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.997  -2.724  -0.439  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.057  -1.958  -0.261  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.277  -0.551   0.194  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.193   0.315   0.394  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.386   1.631   0.818  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.686   2.085   1.046  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.776   1.231   0.850  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.912  -0.202   0.148  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.705  -1.491  -0.269  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        0.650  -1.640  -0.405  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        1.206  -0.374  -0.045  0.00  0.00    +0.095 A 
ATOM     12  N   LIG    1        0.231   0.492   0.290  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -4.575  -0.086   0.425  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.752  -2.361  -0.473  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.597  -3.313  -0.781  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        2.622   0.019  -0.015  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.639  -0.883  -0.364  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.983  -0.496  -0.331  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.329   0.798   0.051  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.333   1.706   0.401  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.991   1.319   0.367  0.00  0.00    +0.010 A 
ENDBRANCH  11  16
TORSDOF 1