REMARK  Name = BDB055089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842  -2.158  -0.734  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.950  -1.949   0.093  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -2.910  -2.913   0.358  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.891  -2.436   1.184  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1       -3.541  -1.191   1.439  0.00  0.00    +0.163 A 
ATOM      6  N   LIG    1       -2.864  -4.161  -0.154  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -1.792  -4.382  -0.952  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -2.377  -0.857   0.800  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1       -1.918   0.042   0.840  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -0.791  -3.460  -1.267  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        0.479  -3.986  -2.314  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.552   0.226  -1.905  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        1.618  -0.488  -2.804  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        0.152  -0.593  -2.319  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        0.047  -1.111  -0.937  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        1.331  -1.242  -0.219  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        2.190   0.017  -0.478  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        2.614   1.664  -2.233  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        7.032   3.305  -0.245  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        5.659   3.001  -0.680  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        4.666   3.731  -0.106  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        3.443   3.323  -0.608  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        3.716   2.345  -1.484  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        5.109   2.107  -1.565  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -4.325  -0.205   2.348  0.00  0.00    +0.149 A 
ATOM     26  N   LIG    1       -3.901   1.045   2.571  0.00  0.00    -0.075 NA
ATOM     27  O   LIG    1       -4.843   1.602   3.423  0.00  0.00    -0.359 OA
ATOM     28  C   LIG    1       -5.814   0.685   3.688  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1       -6.901   1.121   4.582  0.00  0.00    +0.089 C 
ATOM     30  C   LIG    1       -5.527  -0.483   3.027  0.00  0.00    +0.078 A 
ENDBRANCH   5  25
TORSDOF 4