REMARK  Name = BDB063363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.960   0.653   0.433  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        0.702   0.862   0.993  0.00  0.00    +0.085 A 
ATOM      3  S   LIG    1        0.333   1.885   2.435  0.00  0.00    -0.044 S 
ATOM      4  C   LIG    1       -1.326   1.461   2.252  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -1.571   0.634   1.197  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1       -2.933   0.439   1.215  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1       -3.439   1.092   2.247  0.00  0.00    -0.112 NA
ATOM      8  N   LIG    1       -2.413   1.749   2.910  0.00  0.00    -0.120 NA
ATOM      9  C   LIG    1       -0.451   0.248   0.450  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -0.385  -0.594  -0.652  0.00  0.00    +0.145 A 
ATOM     11  C   LIG    1        0.884  -0.802  -1.209  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        2.037  -0.186  -0.679  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -3.617  -0.295   0.319  0.00  0.00    -0.327 N 
ATOM     14  H   LIG    1       -4.553  -0.585   0.586  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.116  -0.971  -0.254  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
BRANCH   1  17
ATOM     16  C   LIG    1        4.303   1.091   0.453  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.015   1.288   1.022  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH  10  18
ATOM     18  O   LIG    1       -1.526  -1.183  -1.106  0.00  0.00    -0.493 OA
ATOM     19  C   LIG    1       -1.459  -1.884  -2.346  0.00  0.00    +0.277 C 
ENDBRANCH  10  18
TORSDOF 3