REMARK  Name = BDB052468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.648  -0.712   0.715  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.369  -0.391   0.322  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        2.079   0.428  -0.192  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.514  -1.373   0.746  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        2.337  -2.270   1.403  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        1.885  -3.399   1.986  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.547  -3.571   1.874  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -0.345  -2.711   1.227  0.00  0.00    +0.082 A 
ATOM      9 CL   LIG    1       -2.016  -3.151   1.218  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        0.132  -1.536   0.614  0.00  0.00    +0.077 A 
ATOM     11  N   LIG    1        3.639  -1.860   1.374  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        7.182   1.608  -0.054  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.936   2.073  -0.478  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.772   1.333  -0.237  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        4.835   0.106   0.436  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        6.093  -0.350   0.858  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        7.257   0.391   0.617  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        9.522   2.001   0.064  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        8.232   2.430  -0.356  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH  10  20
ATOM     20  N   LIG    1       -0.592  -0.574  -0.076  0.00  0.00    -0.325 N 
ATOM     21  C   LIG    1       -1.548   0.228   0.719  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -2.971   0.226   0.113  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -3.030   0.643  -1.303  0.00  0.00    -0.291 NA
ATOM     24  C   LIG    1       -1.859   0.165  -2.071  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -1.065  -0.985  -1.411  0.00  0.00    +0.120 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.299   0.277  -1.958  0.00  0.00    +0.181 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.508   0.943  -1.281  0.00  0.00    +0.233 C 
ATOM     28  N   LIG    1       -6.209   0.059  -0.484  0.00  0.00    -0.264 N 
ATOM     29  H   LIG    1       -5.904  -0.895  -0.373  0.00  0.00    +0.157 HD
ATOM     30  O   LIG    1       -5.762   2.130  -1.458  0.00  0.00    -0.274 OA
BRANCH  28  31
ATOM     31  C   LIG    1       -7.317   0.425   0.225  0.00  0.00    +0.164 A 
ATOM     32  S   LIG    1       -7.980  -0.838   1.167  0.00  0.00    -0.061 S 
ATOM     33  C   LIG    1       -9.200   0.238   1.714  0.00  0.00    +0.068 A 
ATOM     34  C   LIG    1       -9.011   1.477   1.138  0.00  0.00    +0.120 A 
ATOM     35  N   LIG    1       -7.931   1.577   0.285  0.00  0.00    -0.233 NA
ENDBRANCH  28  31
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  10  20
TORSDOF 6