REMARK  Name = BDB053360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.297  -0.923  -0.691  0.00  0.00    -0.272 N 
ATOM      2  C   LIG    1        2.207   0.040  -1.091  0.00  0.00    +0.267 A 
ATOM      3  O   LIG    1        2.222   0.655  -2.147  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        3.213   0.259  -0.044  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        2.994  -0.522   1.076  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        3.771  -0.512   2.175  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        4.821   0.342   2.128  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        5.117   1.169   1.042  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.290   1.128  -0.079  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1        1.556  -1.552   0.886  0.00  0.00    +0.012 S 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.122  -1.279  -1.458  0.00  0.00    +0.168 C 
BRANCH  11  14
ATOM     12  C   LIG    1       -3.158  -0.161   0.156  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -2.048  -0.932  -0.201  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -1.083  -0.443  -1.094  0.00  0.00    -0.024 A 
ATOM     15  C   LIG    1       -1.241   0.845  -1.621  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -2.347   1.618  -1.268  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.305   1.117  -0.383  0.00  0.00    +0.045 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.148  -0.016   1.448  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.016  -0.768   1.032  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  14
ENDBRANCH   1  11
TORSDOF 3