REMARK  Name = BDB014054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.047   0.138  -0.073  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        1.030  -0.077  -1.049  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        2.307  -0.636  -0.386  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.848   0.169   0.729  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        1.763   0.873   1.450  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.381   0.199   1.337  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.147  -0.596   2.607  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.582  -0.257   1.254  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.627  -0.086   0.235  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.290  -0.042   0.552  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.393   0.092  -0.376  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -1.758   0.202  -1.686  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.073   0.356  -2.403  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -3.051   0.197  -2.100  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -3.352   0.321  -3.283  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.057   0.030  -1.039  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.499   0.008  -1.447  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.439   0.198  -0.261  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.964  -0.621   0.931  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        3.874   1.137   0.293  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.170   0.504  -0.181  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1        6.094  -0.056   0.706  0.00  0.00    +0.063 A 
ATOM     23 CL   LIG    1        5.880  -0.055   2.417  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        7.253  -0.633   0.188  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.464  -0.640  -1.188  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        6.503  -0.066  -2.000  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        5.370   0.502  -1.534  0.00  0.00    -0.257 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3