REMARK  Name = BDB019160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.038  -0.673  -0.837  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1       -0.790  -2.182  -0.928  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1        0.723  -2.293  -0.849  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        1.136  -1.055  -1.643  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.135  -0.040  -1.417  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.560  -0.836   1.060  0.00  0.00    +0.255 C 
ATOM      7  O   LIG    1       -2.179  -1.042   1.341  0.00  0.00    -0.341 OA
ATOM      8  C   LIG    1       -1.276  -0.184   0.619  0.00  0.00    +0.183 C 
ATOM      9  C   LIG    1       -1.692   1.279   0.671  0.00  0.00    -0.013 A 
ATOM     10  C   LIG    1       -3.011   1.642   0.981  0.00  0.00    -0.036 A 
ATOM     11  C   LIG    1       -3.380   2.997   0.998  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.441   3.983   0.702  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -1.129   3.635   0.400  0.00  0.00    +0.020 A 
ATOM     14 CL   LIG    1       -2.906   5.639   0.724  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -0.757   2.290   0.388  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -4.009   0.593   1.385  0.00  0.00    +0.096 C 
BRANCH   6  18
ATOM     17  C   LIG    1       -4.371  -2.521  -0.386  0.00  0.00    +0.197 C 
ATOM     18  O   LIG    1       -3.890  -1.185  -0.285  0.00  0.00    -0.354 OA
ENDBRANCH   6  18
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  N   LIG    1        2.449  -0.512  -1.333  0.00  0.00    -0.303 N 
ATOM     20  C   LIG    1        2.884  -0.069  -0.105  0.00  0.00    +0.146 A 
ATOM     21  C   LIG    1        4.188   0.390  -0.253  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        4.822   0.892   0.894  0.00  0.00    +0.051 A 
ATOM     23  N   LIG    1        4.128   0.899   2.064  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        2.870   0.420   2.067  0.00  0.00    +0.223 A 
ATOM     25  C   LIG    1        6.220   1.426   0.911  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        4.542   0.211  -1.617  0.00  0.00    +0.031 A 
ATOM     27  N   LIG    1        2.173  -0.081   1.035  0.00  0.00    -0.218 NA
ATOM     28  C   LIG    1        3.456  -0.343  -2.259  0.00  0.00    +0.091 A 
ENDBRANCH   4  19
BRANCH   2  29
ATOM     29  O   LIG    1       -1.191  -2.689  -2.221  0.00  0.00    -0.386 OA
ATOM     30  H   LIG    1       -2.127  -2.442  -2.341  0.00  0.00    +0.210 HD
ENDBRANCH   2  29
BRANCH   3  31
ATOM     31  O   LIG    1        1.175  -3.517  -1.433  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        0.519  -3.725  -2.131  0.00  0.00    +0.210 HD
ENDBRANCH   3  31
TORSDOF 5