REMARK  Name = BDB062317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.660  -2.600   1.282  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.389  -2.411  -0.210  0.00  0.00    +0.068 C 
ATOM      3  N   LIG    1       -2.110  -1.725  -0.407  0.00  0.00    -0.340 N 
ATOM      4  H   LIG    1       -1.342  -2.176   0.082  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.016  -0.334  -0.425  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -0.681   0.306  -0.406  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.585   1.702  -0.279  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -1.772   2.491  -0.236  0.00  0.00    -0.311 N 
ATOM      9  C   LIG    1       -3.034   1.925  -0.357  0.00  0.00    +0.256 A 
ATOM     10  O   LIG    1       -4.074   2.585  -0.369  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.681   3.938  -0.120  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        0.688   2.293  -0.224  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.849   1.520  -0.318  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.776   0.141  -0.495  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.505  -0.448  -0.535  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.114   0.442  -0.444  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -4.500  -0.149  -0.516  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.494  -1.626  -0.920  0.00  0.00    +0.027 C 
ENDROOT
BRANCH  14  19
ATOM     19  N   LIG    1        2.912  -0.687  -0.581  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        2.751  -1.509  -1.161  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.239  -0.506  -0.128  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        5.333  -1.056  -0.823  0.00  0.00    +0.110 A 
ATOM     23  C   LIG    1        6.611  -0.802  -0.340  0.00  0.00    +0.148 A 
ATOM     24 CL   LIG    1        8.040  -1.410  -1.087  0.00  0.00    -0.061 Cl
ATOM     25  N   LIG    1        6.879  -0.059   0.757  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1        5.822   0.458   1.409  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        4.510   0.267   1.008  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  C   LIG    1        5.140  -1.854  -1.991  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        4.924  -2.510  -2.924  0.00  0.00    -0.191 NA
ENDBRANCH  22  28
ENDBRANCH  19  21
ENDBRANCH  14  19
TORSDOF 3