REMARK  Name = BDB063658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.853   3.437   0.465  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -1.217   2.124   0.173  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.779   0.906  -0.186  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.217   0.676  -0.335  0.00  0.00    +0.165 C 
ATOM      5  C   LIG    1       -3.787  -0.655   0.110  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1       -3.276  -1.856  -0.670  0.00  0.00    +0.008 C 
ATOM      7  C   LIG    1       -1.864  -2.278  -0.267  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -0.774  -1.419  -0.894  0.00  0.00    +0.038 C 
ATOM      9  O   LIG    1       -3.975   1.567  -0.722  0.00  0.00    -0.292 OA
ATOM     10  C   LIG    1       -0.694  -0.014  -0.381  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1        0.480   0.673  -0.091  0.00  0.00    +0.052 A 
ATOM     12  N   LIG    1        0.141   1.962   0.234  0.00  0.00    -0.357 N 
ATOM     13  H   LIG    1        0.806   2.690   0.460  0.00  0.00    +0.166 HD
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1        1.878   0.245  -0.130  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        2.614   0.158  -1.321  0.00  0.00    +0.050 A 
ATOM     16 CL   LIG    1        1.928   0.548  -2.859  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.956  -0.226  -1.287  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        4.566  -0.541  -0.070  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.835  -0.520   1.119  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.509  -0.079   1.084  0.00  0.00    +0.034 A 
BRANCH  19  21
ATOM     21  N   LIG    1        4.480  -0.719   2.344  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1        5.301  -1.313   2.290  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        3.859  -0.992   3.100  0.00  0.00    +0.142 HD
ENDBRANCH  19  21
ENDBRANCH  11  14
TORSDOF 2