REMARK  Name = BDB023096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.501  -0.682   0.169  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        0.906  -1.884  -0.573  0.00  0.00    +0.151 C 
ATOM      3  C   LIG    1       -0.295  -2.304   0.289  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -0.746  -1.000   0.985  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1        0.235   0.099   0.534  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -2.144  -0.670   0.785  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -2.825  -0.463  -0.381  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -4.158  -0.214  -0.115  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -5.075   0.031  -1.234  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1       -4.529   0.009  -2.510  0.00  0.00    -0.215 NA
ATOM     11  C   LIG    1       -3.264  -0.231  -2.642  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -6.350   0.267  -1.157  0.00  0.00    -0.066 NA
ATOM     13  C   LIG    1       -4.287  -0.263   1.295  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -2.355  -0.481  -1.641  0.00  0.00    -0.332 N 
ATOM     15  H   LIG    1       -1.388  -0.604  -1.905  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1       -3.042  -0.540   1.823  0.00  0.00    +0.089 A 
BRANCH  12  17
ATOM     17  O   LIG    1       -6.862   0.278   0.144  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1       -7.806   0.470  -0.013  0.00  0.00    +0.328 HD
ENDBRANCH  12  17
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1        2.197   0.498  -2.030  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        2.606   0.080  -0.608  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.111   1.254   0.239  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        4.047   1.024   1.270  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        4.512   2.065   2.083  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        5.654   1.673   3.318  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        4.042   3.363   1.881  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        4.560   4.701   2.844  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        3.111   3.611   0.871  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        2.648   2.567   0.061  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  O   LIG    1        3.719  -0.811  -0.787  0.00  0.00    -0.384 OA
ATOM     30  H   LIG    1        3.362  -1.696  -1.012  0.00  0.00    +0.211 HD
ENDBRANCH  20  29
ENDBRANCH   1  20
BRANCH   2  31
ATOM     31  O   LIG    1        1.866  -2.919  -0.718  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1        1.739  -3.502   0.064  0.00  0.00    +0.210 HD
ENDBRANCH   2  31
BRANCH   3  33
ATOM     33  O   LIG    1        0.163  -3.264   1.254  0.00  0.00    -0.387 OA
ATOM     34  H   LIG    1       -0.623  -3.591   1.732  0.00  0.00    +0.210 HD
ENDBRANCH   3  33
TORSDOF 7