REMARK  Name = BDB019903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.160  -2.477  -1.281  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1        0.867  -1.529  -1.244  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.570  -0.162  -1.220  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.765   0.259  -1.252  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.811  -0.677  -1.261  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.493  -2.045  -1.274  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        1.487  -3.941  -3.433  0.00  0.00    +0.149 C 
ATOM      8  N   LIG    1        0.897  -4.550  -2.259  0.00  0.00    -0.350 N 
ATOM      9  C   LIG    1        0.141  -3.909  -1.295  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -0.267  -4.886  -0.400  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        0.270  -6.125  -0.818  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.986  -5.888  -1.967  0.00  0.00    +0.086 A 
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1        1.698   0.808  -1.172  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        1.429   2.030  -0.594  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        0.571   2.150  -0.072  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.799   0.489  -1.609  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.473   3.002  -0.363  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.982   2.907   1.053  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1        2.436   3.708   2.066  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        2.887   3.594   3.386  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        2.161   4.620   4.572  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        3.889   2.670   3.704  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        4.493   2.474   5.310  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        4.430   1.862   2.701  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        3.977   1.977   1.385  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   3  13
BRANCH   5  26
ATOM     26  C   LIG    1       -3.255  -0.221  -1.241  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.567   0.473  -0.007  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1       -3.498   1.859   0.192  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -3.273   2.803  -0.650  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1       -3.181   2.417  -1.588  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1       -3.712   2.019   1.563  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1       -3.648   3.295   2.231  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1       -3.862   0.783   2.169  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1       -3.776  -0.157   1.218  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6