REMARK  Name = BDB064438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.281   1.854   0.207  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -4.410   1.061  -0.029  0.00  0.00    +0.046 A 
ATOM      3 CL   LIG    1       -5.949   1.744  -0.409  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1       -4.316  -0.328   0.036  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.104  -0.952   0.346  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -3.111  -2.359   0.383  0.00  0.00    -0.237 NA
ATOM      7  C   LIG    1       -1.995  -2.976   0.622  0.00  0.00    +0.171 A 
ATOM      8  C   LIG    1       -0.700  -2.237   0.862  0.00  0.00    +0.170 A 
ATOM      9  N   LIG    1       -0.741  -0.849   0.921  0.00  0.00    -0.320 N 
ATOM     10  N   LIG    1        0.391  -2.927   0.997  0.00  0.00    -0.173 NA
ATOM     11  C   LIG    1        0.391  -4.292   0.929  0.00  0.00    +0.351 A 
ATOM     12  O   LIG    1        1.405  -4.932   0.674  0.00  0.00    -0.245 OA
ATOM     13  N   LIG    1       -0.775  -4.970   1.134  0.00  0.00    -0.272 N 
ATOM     14  H   LIG    1       -0.675  -5.968   1.017  0.00  0.00    +0.174 HD
ATOM     15  C   LIG    1       -1.958  -4.480   0.676  0.00  0.00    +0.282 A 
ATOM     16  O   LIG    1       -2.879  -5.178   0.286  0.00  0.00    -0.265 OA
ATOM     17  C   LIG    1       -1.945  -0.182   0.606  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.064   1.218   0.529  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1       -3.721   3.965   1.503  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -3.318   3.365   0.164  0.00  0.00    +0.033 C 
ENDBRANCH   1  20
BRANCH   9  21
ATOM     21  C   LIG    1        0.488  -0.091   1.190  0.00  0.00    +0.152 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.262   0.205  -0.098  0.00  0.00    +0.181 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.346   1.085   0.209  0.00  0.00    -0.378 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.174   1.373  -0.919  0.00  0.00    +0.162 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.196   0.260  -1.194  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        5.068   0.628  -2.394  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        5.066  -0.015   0.034  0.00  0.00    +0.009 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 6