REMARK  Name = BDB064025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.233   1.417   3.080  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.269   0.673   2.122  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.846   0.176   1.274  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.112   0.561   1.472  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.341  -0.676   0.315  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.941  -0.693   0.528  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.351   0.077   1.559  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.268   0.160   1.953  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.288   0.146   0.690  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.319   1.082   0.498  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.465   0.694  -0.219  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.615  -0.595  -0.732  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.798  -0.831  -1.415  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.526   0.262  -1.416  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.584  -1.529  -0.519  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.863   1.622  -0.616  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.437  -1.151   0.193  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.782  -1.447  -0.228  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -1.235  -1.907  -0.957  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.093  -1.046  -0.747  0.00  0.00    +0.127 C 
ATOM     21  C   LIG    1       -3.094   0.348  -1.425  0.00  0.00    +0.139 C 
ATOM     22  C   LIG    1       -3.812   1.399  -0.584  0.00  0.00    +0.061 C 
ATOM     23  C   LIG    1       -5.205   0.945  -0.148  0.00  0.00    +0.162 C 
ATOM     24  O   LIG    1       -5.372  -0.473  -0.170  0.00  0.00    -0.378 OA
ATOM     25  C   LIG    1       -4.215  -1.174   0.289  0.00  0.00    +0.184 C 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.735   0.274  -2.707  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1       -4.644  -0.055  -2.570  0.00  0.00    +0.210 HD
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4