REMARK  Name = BDB061863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.508   0.112  -0.415  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.111   0.024  -0.274  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.693  -0.639  -1.214  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -0.056  -1.233  -2.315  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -0.811  -1.909  -3.278  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -0.366  -2.340  -4.077  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -2.168  -2.038  -3.215  0.00  0.00    +0.251 A 
ATOM      8  C   LIG    1       -2.840  -1.414  -2.058  0.00  0.00    +0.093 A 
ATOM      9  O   LIG    1       -2.808  -2.639  -4.070  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        1.328  -1.164  -2.474  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -2.171  -0.748  -1.101  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        2.103  -0.498  -1.523  0.00  0.00    +0.025 A 
ENDROOT
BRANCH  11  13
ATOM     13  N   LIG    1       -2.856  -0.173  -0.030  0.00  0.00    -0.325 N 
ATOM     14  C   LIG    1       -2.881  -0.819   1.298  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -4.173  -0.443   2.039  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -4.324   0.983   2.141  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -4.381   1.567   0.829  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -3.099   1.284   0.032  0.00  0.00    +0.133 C 
ENDBRANCH  11  13
BRANCH   1  19
ATOM     19  N   LIG    1        2.248   0.761   0.594  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        1.720   1.501   1.052  0.00  0.00    +0.152 HD
BRANCH  19  27
ATOM     21  C   LIG    1        4.316   1.728   1.509  0.00  0.00    +0.110 A 
ATOM     22  C   LIG    1        5.649   1.536   1.848  0.00  0.00    +0.148 A 
ATOM     23 CL   LIG    1        6.650   2.788   2.482  0.00  0.00    -0.061 Cl
ATOM     24  N   LIG    1        6.308   0.363   1.722  0.00  0.00    -0.242 NA
ATOM     25  C   LIG    1        5.605  -0.675   1.234  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1        4.273  -0.588   0.862  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1        3.596   0.631   1.000  0.00  0.00    +0.053 A 
BRANCH  21  29
ATOM     28  N   LIG    1        3.137   4.013   1.796  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1        3.696   3.005   1.670  0.00  0.00    +0.104 C 
ENDBRANCH  21  29
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 4