REMARK  Name = BDB057651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.094   0.994   0.943  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.333   0.879   0.295  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.369   0.119   0.859  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.131  -0.487   2.103  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -4.141  -1.233   2.709  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.987  -1.678   3.604  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.383  -1.405   2.175  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.666  -0.747   0.860  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -7.085  -0.961   0.405  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -7.622   0.176  -0.903  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -6.138   0.072  -1.925  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.915   0.563  -1.153  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -6.225  -2.086   2.754  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.906  -0.356   2.764  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -4.699  -0.054   0.215  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -0.884   0.394   2.186  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1       -0.347   2.961  -0.038  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -0.042   1.824   0.312  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        1.228   1.288   0.139  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        1.554  -0.143   0.216  0.00  0.00    +0.127 C 
ATOM     21  C   LIG    1        2.707  -0.556  -0.721  0.00  0.00    +0.124 C 
ATOM     22  N   LIG    1        3.906   0.261  -0.483  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.696   1.664  -0.076  0.00  0.00    +0.124 C 
ATOM     24  C   LIG    1        2.275   2.155  -0.404  0.00  0.00    +0.127 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.171  -0.183  -0.842  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        6.333   0.423  -0.334  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        7.616  -0.018  -0.682  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.772  -1.088  -1.554  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.645  -1.713  -2.071  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.366  -1.266  -1.716  0.00  0.00    +0.023 A 
ENDBRANCH  22  25
ENDBRANCH   1  18
TORSDOF 2