REMARK  Name = BDB057248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.168  -2.788   0.468  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -0.259  -1.970  -0.227  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.447  -0.567  -0.237  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -1.494   0.036   0.466  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.372  -0.794   1.170  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.215  -2.188   1.169  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.691   1.479   0.487  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -2.789   2.081   1.102  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -2.610   3.356   0.911  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -3.313   4.612   1.244  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -2.211   5.670   0.977  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -1.208   5.005   0.011  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -1.463   3.596   0.227  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -0.853   2.434  -0.068  0.00  0.00    +0.115 A 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -0.943  -4.137   0.396  0.00  0.00    -0.489 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -1.097  -6.366   1.168  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -1.860  -5.056   0.997  0.00  0.00    +0.167 C 
ATOM     18  C   LIG    1       -3.067  -5.275   0.094  0.00  0.00    +0.051 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   2  19
ATOM     19  C   LIG    1        0.923  -2.538  -0.981  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.147  -1.925  -0.494  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        2.252  -1.853   0.512  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        3.116  -1.419  -1.331  0.00  0.00    +0.218 C 
ATOM     23  O   LIG    1        3.093  -1.539  -2.553  0.00  0.00    -0.275 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.205  -0.636  -0.616  0.00  0.00    +0.131 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.907   0.848  -0.601  0.00  0.00    -0.037 A 
ATOM     26  C   LIG    1        3.267   1.435   0.500  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        2.961   2.798   0.500  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1        2.190   3.455   1.901  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        3.283   3.583  -0.612  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        2.926   5.270  -0.687  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        3.915   3.006  -1.717  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        4.222   1.646  -1.713  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7