REMARK  Name = BDB055117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007   0.205  -1.987  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.400   0.281  -1.919  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -2.218   0.494  -3.016  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.537   0.515  -2.659  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -3.547   0.323  -1.353  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -1.744   0.654  -4.270  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.395   0.589  -4.354  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -2.274   0.184  -0.870  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1       -2.003   0.036   0.090  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        0.491   0.376  -3.293  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        2.180   0.332  -3.656  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        3.111  -0.538   0.878  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        3.025   0.601  -0.060  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        1.582   1.075  -0.353  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        0.707  -0.024  -0.819  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        1.275  -1.378  -0.691  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        2.019  -1.513   0.657  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        4.431  -1.195   0.853  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        8.377   2.026   1.346  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        7.238   1.098   1.444  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        6.837   0.766   2.699  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        5.769  -0.109   2.627  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        5.526  -0.285   1.320  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        6.443   0.453   0.530  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -4.836   0.266  -0.498  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -5.034   0.071   0.883  0.00  0.00    +0.077 A 
ATOM     27  N   LIG    1       -6.327   0.106   1.221  0.00  0.00    -0.175 NA
ATOM     28  N   LIG    1       -6.953   0.311   0.046  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -8.392   0.402   0.015  0.00  0.00    +0.172 C 
ATOM     30  C   LIG    1       -6.103   0.414  -1.013  0.00  0.00    +0.119 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -3.919  -0.140   1.946  0.00  0.00    +0.040 C 
ATOM     32  C   LIG    1       -3.178  -1.453   1.994  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -4.157  -1.110   3.076  0.00  0.00    +0.010 C 
ENDBRANCH  26  31
ENDBRANCH   5  25
TORSDOF 5