REMARK  Name = BDB056403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.429  -4.668   0.436  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.253  -3.665   0.246  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.601  -3.816   0.099  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -1.940  -4.762   0.179  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -2.516  -2.821   0.224  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -3.716  -3.035   0.341  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.925  -1.477   0.231  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.443  -1.333   0.189  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.139  -0.046   0.140  0.00  0.00    -0.291 N 
ATOM     10  C   LIG    1       -0.714   1.111   0.201  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -2.116   0.951   0.259  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.962   2.068   0.324  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -2.422   3.351   0.345  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       -3.462   4.717   0.428  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -1.044   3.532   0.309  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -0.198   2.421   0.242  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.704  -0.389   0.259  0.00  0.00    +0.027 A 
ATOM     18  N   LIG    1        0.291  -2.415   0.196  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1        1.550   0.047  -0.081  0.00  0.00    +0.084 A 
ATOM     20  C   LIG    1        2.066   0.557  -1.283  0.00  0.00    +0.147 A 
ATOM     21  F   LIG    1        1.232   0.964  -2.253  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        3.438   0.651  -1.503  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        4.326   0.227  -0.517  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        3.837  -0.292   0.682  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.459  -0.384   0.899  0.00  0.00    +0.029 A 
ENDBRANCH   9  19
TORSDOF 1