REMARK  Name = BDB059091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.822  -0.404  -0.190  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1       -0.395  -0.781   1.164  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1        0.909  -0.061   1.506  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1        2.024  -0.330   0.473  0.00  0.00    +0.017 C 
ATOM      5  C   LIG    1        3.280  -0.994   1.006  0.00  0.00    -0.000 A 
ATOM      6  C   LIG    1        4.405  -0.304   0.514  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        5.687  -0.743   0.818  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        5.841  -1.863   1.634  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        4.732  -2.554   2.124  0.00  0.00    +0.040 A 
ATOM     10 CL   LIG    1        7.425  -2.413   2.029  0.00  0.00    -0.083 Cl
ATOM     11  N   LIG    1        4.057   0.775  -0.332  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        3.444  -2.127   1.800  0.00  0.00    +0.048 A 
ATOM     13 CL   LIG    1        2.120  -3.060   2.378  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        2.649   1.031   0.035  0.00  0.00    +0.117 C 
ATOM     15  C   LIG    1        1.500  -1.120  -0.744  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1        0.166  -0.581  -1.256  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  26
ATOM     17  O   LIG    1       -4.105   0.804  -3.222  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1       -3.819   0.447  -2.084  0.00  0.00    +0.256 A 
ATOM     19  C   LIG    1       -4.833   0.268  -1.030  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -6.267   0.532  -1.370  0.00  0.00    +0.042 C 
ATOM     21  C   LIG    1       -7.161   0.630  -0.132  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -6.812  -0.452   0.884  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -5.349  -0.343   1.322  0.00  0.00    +0.056 C 
ATOM     24  C   LIG    1       -4.388  -0.113   0.178  0.00  0.00    +0.053 A 
ATOM     25  N   LIG    1       -3.068  -0.334   0.482  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -2.168  -0.191  -0.445  0.00  0.00    +0.198 A 
ATOM     27  N   LIG    1       -2.534   0.190  -1.710  0.00  0.00    -0.295 N 
ATOM     28  H   LIG    1       -1.847   0.335  -2.426  0.00  0.00    +0.172 HD
ENDBRANCH   1  26
BRANCH  11  29
ATOM     29  C   LIG    1        4.974   1.930  -0.382  0.00  0.00    +0.133 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.553   2.883  -1.511  0.00  0.00    +0.174 C 
BRANCH  30  31
ATOM     31  O   LIG    1        4.431   2.159  -2.736  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        4.174   1.253  -2.469  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  11  29
TORSDOF 4