REMARK  Name = BDB005938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.392  -0.607  -0.654  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1        1.310  -1.083   0.073  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1        1.285  -2.245   0.483  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1        0.231  -0.203   0.262  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1        0.295   1.164  -0.192  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        1.261   1.465  -1.143  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        1.224   2.684  -1.786  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        0.311   3.634  -1.510  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -0.550   3.440  -0.491  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -1.432   4.468  -0.117  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -2.274   4.364   0.992  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -2.228   3.226   1.774  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.375   2.185   1.411  0.00  0.00    +0.012 A 
ATOM     14 CL   LIG    1       -1.497   5.955  -1.011  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -0.566   2.224   0.244  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        2.333   0.523  -1.447  0.00  0.00    +0.266 A 
ATOM     17  O   LIG    1        3.120   0.779  -2.353  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   4  18
ATOM     18  C   LIG    1       -1.079  -0.811   0.591  0.00  0.00    +0.092 C 
ATOM     19  C   LIG    1       -1.524  -1.916  -0.401  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -1.802  -3.155   0.443  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -2.142  -2.604   1.817  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -1.162  -1.453   1.988  0.00  0.00    +0.025 C 
ENDBRANCH   4  18
BRANCH   1  24
ATOM     23  C   LIG    1        3.281  -2.472  -2.031  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        3.515  -1.515  -0.868  0.00  0.00    +0.126 C 
ENDBRANCH   1  24
TORSDOF 2