REMARK  Name = BDB051340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.000   1.259   2.411  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        4.293   0.732   1.556  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        4.705  -0.366   0.720  0.00  0.00    +0.112 A 
ATOM      4  N   LIG    1        3.865  -0.917  -0.223  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1        4.526  -1.940  -0.862  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        5.793  -2.041  -0.325  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        2.553  -0.437  -0.425  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1        2.140   0.632   0.384  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.857   1.159   0.243  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -0.024   0.619  -0.707  0.00  0.00    -0.031 A 
ATOM     11  C   LIG    1        0.406  -0.451  -1.511  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.690  -0.984  -1.374  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.906  -1.048   0.674  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1        3.009   1.181   1.340  0.00  0.00    -0.319 N 
ATOM     15  H   LIG    1        2.715   1.951   1.924  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.421   1.185  -0.875  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.484   0.201  -0.618  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -3.800   0.699  -1.050  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -4.671   1.210   0.095  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -4.933   0.115   1.127  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -3.795  -0.901   1.194  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -2.466  -0.274   0.777  0.00  0.00    +0.085 C 
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 2