REMARK  Name = BDB063681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.963   0.097  -0.602  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        0.984   0.499   0.423  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.451   0.368  -0.135  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.827  -1.020  -0.504  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.367  -1.808  -0.886  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.538  -1.001  -1.496  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.045   0.904  -0.127  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        5.586   0.703  -1.378  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        4.259   0.460  -1.509  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1        3.822   0.358  -3.178  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1        3.321   0.373  -0.454  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        3.867   0.613   0.818  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.228   0.876   0.993  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.569   0.674   1.240  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.137   0.584   1.097  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.668  -0.182   1.561  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.512   1.177   0.009  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.107   1.871  -0.808  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.841  -1.032  -1.571  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.166  -0.449  -1.126  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -3.874  -1.026  -0.060  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -5.096  -0.484   0.347  0.00  0.00    +0.071 A 
ATOM     23  C   LIG    1       -5.646   0.638  -0.292  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1       -6.878   1.198   0.107  0.00  0.00    -0.242 NA
ATOM     25  C   LIG    1       -7.511   0.647   1.101  0.00  0.00    +0.103 A 
ATOM     26  C   LIG    1       -6.986  -0.572   1.855  0.00  0.00    +0.270 A 
ATOM     27  O   LIG    1       -7.614  -1.053   2.785  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -8.826   1.204   1.564  0.00  0.00    +0.071 C 
ATOM     29  C   LIG    1       -4.930   1.198  -1.354  0.00  0.00    +0.151 A 
ATOM     30  F   LIG    1       -5.410   2.272  -2.001  0.00  0.00    -0.203 F 
ATOM     31  N   LIG    1       -5.785  -1.067   1.416  0.00  0.00    -0.319 N 
ATOM     32  H   LIG    1       -5.415  -1.874   1.899  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -3.708   0.669  -1.772  0.00  0.00    +0.045 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4