REMARK  Name = BDB064017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.972   0.223  -3.813  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.058   0.399  -2.615  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -0.011   0.254  -1.567  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.237  -0.130  -1.862  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.542   0.596  -0.341  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.780   0.903  -0.593  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -2.137   0.792  -1.893  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -3.016   1.046  -2.307  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.354  -0.288  -0.917  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.170  -0.780   0.384  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.291  -0.936   1.219  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.583  -0.629   0.787  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.588  -0.835   1.719  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.062  -1.288   2.833  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.759  -0.153  -0.526  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.364  -1.501   2.846  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.647   0.007  -1.364  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.655   1.319   0.365  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -2.206   1.285   1.281  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.955   0.693   0.377  0.00  0.00    +0.124 C 
ATOM     21  C   LIG    1       -3.956  -0.713   1.002  0.00  0.00    +0.184 C 
ATOM     22  O   LIG    1       -4.465  -0.190   2.256  0.00  0.00    -0.376 OA
ATOM     23  C   LIG    1       -4.778   1.074   1.617  0.00  0.00    +0.184 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3