REMARK  Name = BDB063818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.123  -3.329  -1.560  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.005  -2.499  -0.683  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.972  -1.480  -0.209  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.176  -1.338  -0.776  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.417  -0.763   0.830  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.778  -1.255   0.960  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.073  -2.267   0.119  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.914  -2.815   0.116  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.206  -0.356  -0.402  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.996   0.197  -1.424  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        5.000   1.113  -1.071  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        5.251   1.483   0.251  0.00  0.00    +0.102 A 
ATOM     13  N   LIG    1        6.282   2.401   0.419  0.00  0.00    -0.141 NA
ATOM     14  N   LIG    1        6.828   2.746  -0.735  0.00  0.00    -0.109 NA
ATOM     15  C   LIG    1        4.464   0.908   1.267  0.00  0.00    +0.031 A 
ATOM     16  S   LIG    1        6.125   1.982  -2.043  0.00  0.00    +0.037 S 
ATOM     17  C   LIG    1        3.457  -0.007   0.930  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.658  -0.846   1.911  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.119  -0.318   2.598  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.883  -0.078   1.637  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.903  -0.804   0.751  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -3.767  -0.554  -0.751  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.566   0.917  -1.086  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -2.380   1.495  -0.327  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -2.569   1.353   1.179  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3