REMARK  Name = BDB000036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.313  -0.417  -0.237  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        0.431  -1.364   0.333  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.931  -1.336  -0.050  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.813  -2.292   0.512  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.376  -3.243   1.434  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.046  -3.262   1.823  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.331  -0.349  -0.970  0.00  0.00    +0.076 A 
ATOM      8  N   LIG    1       -0.455   0.547  -1.474  0.00  0.00    -0.152 NA
ATOM      9  C   LIG    1        0.844  -2.335   1.282  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1        0.858   0.509  -1.106  0.00  0.00    -0.133 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.695  -0.462   0.099  0.00  0.00    -0.298 N 
ATOM     12  H   LIG    1        3.037  -1.400  -0.085  0.00  0.00    +0.154 HD
BRANCH  11  17
ATOM     13 CL   LIG    1        7.004   3.552  -0.717  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        5.747   2.399  -0.495  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        6.057   1.047  -0.392  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        5.033   0.112  -0.210  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        3.687   0.511  -0.154  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        3.405   1.882  -0.222  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        4.425   2.822  -0.406  0.00  0.00    +0.022 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   7  20
ATOM     20  C   LIG    1       -2.753  -0.180  -1.456  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.697   0.454  -0.459  0.00  0.00    -0.039 A 
ATOM     22  C   LIG    1       -3.366   1.642   0.202  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.279   2.190   1.089  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -5.489   1.651   1.351  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1       -5.801   0.517   0.689  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -4.955  -0.108  -0.215  0.00  0.00    +0.023 A 
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4