REMARK  Name = BDB040447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580   1.219   1.804  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.781   0.918   1.234  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.510  -0.195   1.659  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.758  -0.496   1.095  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.561  -1.883   1.753  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.314   0.298   0.068  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.571   1.427  -0.337  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.138   2.536  -1.541  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.325   1.725   0.233  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.659  -0.022  -0.582  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.755  -1.451  -1.113  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.807  -2.045  -1.624  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.999  -2.035  -1.073  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.054  -2.976  -1.440  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.200  -1.438  -0.787  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.260  -2.034  -0.954  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.147   0.005  -0.350  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.832   0.325   0.342  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.260   1.499   0.013  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.611   0.703   0.935  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.758  -0.297   0.918  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.067   2.711  -0.056  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.924   1.754  -1.874  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.235   0.745  -0.930  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        2.370  -0.188  -1.809  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.333   0.017  -0.115  0.00  0.00    -0.031 A 
ATOM     27  C   LIG    1        4.636  -1.349  -0.346  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        5.659  -1.895   0.457  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        6.367  -1.114   1.456  0.00  0.00    +0.134 A 
ATOM     30  N   LIG    1        7.268  -1.906   2.050  0.00  0.00    -0.049 NA
ATOM     31  O   LIG    1        7.136  -3.144   1.443  0.00  0.00    -0.242 OA
ATOM     32  C   LIG    1        6.082   0.240   1.688  0.00  0.00    +0.034 A 
ATOM     33  N   LIG    1        6.150  -3.140   0.470  0.00  0.00    -0.049 NA
ATOM     34  C   LIG    1        5.056   0.768   0.876  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5