REMARK  Name = BDB061872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334   4.515   1.004  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.166   3.156   0.868  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -0.705   2.109   0.445  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.210   0.798   0.327  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -1.103  -0.234  -0.035  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.455   0.007  -0.318  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.917   1.317  -0.216  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.224   0.508   0.604  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.983   1.529   1.024  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -2.057   2.354   0.159  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        1.490   2.912   1.191  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1        2.278   3.767   1.591  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -3.290  -1.081  -0.635  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1       -2.784  -1.854  -1.064  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -4.680  -1.277  -0.474  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -5.408  -2.100  -1.354  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1       -6.780  -2.210  -1.164  0.00  0.00    +0.148 A 
ATOM     18 CL   LIG    1       -7.795  -3.181  -2.163  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1       -7.470  -1.578  -0.188  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1       -6.758  -0.796   0.643  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -5.389  -0.614   0.537  0.00  0.00    +0.044 A 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.759  -2.801  -2.415  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -4.180  -3.364  -3.249  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  N   LIG    1        1.654  -0.802   0.367  0.00  0.00    -0.331 N 
ATOM     25  H   LIG    1        1.427  -1.033  -0.604  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1        2.985  -1.400   0.672  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1        2.899  -2.892   0.275  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1        3.251  -1.350   2.189  0.00  0.00    +0.039 C 
BRANCH  26  29
ATOM     29  C   LIG    1        4.105  -0.769  -0.175  0.00  0.00    +0.151 A 
ATOM     30  N   LIG    1        5.266  -0.430   0.425  0.00  0.00    -0.238 NA
ATOM     31  C   LIG    1        6.207   0.137  -0.352  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        6.043   0.370  -1.696  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        4.836  -0.020  -2.222  0.00  0.00    +0.114 A 
ATOM     34  N   LIG    1        3.858  -0.592  -1.496  0.00  0.00    -0.238 NA
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 6