REMARK  Name = BDB063480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048  -0.686   0.435  0.00  0.00    +0.204 A 
ATOM      2  N   LIG    1        1.025   0.138   0.177  0.00  0.00    -0.184 NA
ATOM      3  C   LIG    1        2.064  -0.625   0.454  0.00  0.00    +0.298 A 
ATOM      4  O   LIG    1        1.692  -1.875   0.869  0.00  0.00    -0.329 OA
ATOM      5  N   LIG    1        0.300  -1.912   0.855  0.00  0.00    -0.055 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.047   1.441  -0.340  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -1.718   1.048  -0.182  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -1.421  -0.246   0.260  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -2.497  -1.088   0.523  0.00  0.00    +0.122 A 
ATOM     10  N   LIG    1       -3.800  -0.733   0.379  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1       -4.043   0.524  -0.050  0.00  0.00    +0.111 A 
ENDBRANCH   1   8
BRANCH   3  12
ATOM     12  C   LIG    1        3.565  -0.171   0.330  0.00  0.00    +0.249 A 
ATOM     13  N   LIG    1        4.573  -1.006   0.631  0.00  0.00    -0.164 NA
ATOM     14  S   LIG    1        5.952  -0.102   0.352  0.00  0.00    +0.140 S 
ATOM     15  N   LIG    1        5.188   1.302  -0.136  0.00  0.00    -0.089 NA
ATOM     16  N   LIG    1        3.876   1.123  -0.101  0.00  0.00    -0.115 NA
ENDBRANCH   3  12
TORSDOF 2