REMARK  Name = BDB065176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.123  -0.481  -0.515  0.00  0.00    +0.103 A 
ATOM      2  N   LIG    1       -4.344  -0.207   0.588  0.00  0.00    -0.350 N 
ATOM      3  H   LIG    1       -4.712  -0.055   1.517  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -3.013  -0.182   0.251  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -2.923  -0.503  -1.099  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.655  -0.568  -1.680  0.00  0.00    +0.123 A 
ATOM      7  N   LIG    1       -0.544  -0.313  -0.942  0.00  0.00    -0.239 NA
ATOM      8  C   LIG    1       -0.647   0.006   0.366  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -1.880   0.077   1.022  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -4.249  -0.709  -1.565  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -8.683  -0.089   0.561  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1       -7.275   0.219   0.381  0.00  0.00    -0.302 N 
ATOM     13  C   LIG    1       -6.567  -0.605  -0.506  0.00  0.00    +0.262 C 
ATOM     14  O   LIG    1       -7.142  -1.429  -1.214  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -6.922   1.621   0.565  0.00  0.00    +0.132 C 
ENDBRANCH   1  13
BRANCH   8  16
ATOM     16  N   LIG    1        0.508   0.265   1.143  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1        0.380   1.126   1.670  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.868   0.104   0.780  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        2.862   0.905   1.375  0.00  0.00    +0.063 A 
ATOM     20 CL   LIG    1        2.427   2.156   2.494  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        4.219   0.730   1.080  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        4.626  -0.270   0.190  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1        3.648  -1.091  -0.383  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        2.291  -0.911  -0.084  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.029  -0.472  -0.127  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        7.002   0.507  -0.109  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        8.167  -0.100  -0.483  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        9.464   0.517  -0.618  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        8.027  -1.410  -0.748  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.728  -1.634  -0.535  0.00  0.00    +0.142 A 
ENDBRANCH  22  25
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 4