REMARK  Name = BDB003990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.574   2.483  -1.475  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.262   1.180  -0.792  0.00  0.00    -0.048 A 
ATOM      3  C   LIG    1       -1.128   1.072   0.030  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.851  -0.151   0.614  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1        0.213  -0.492   1.467  0.00  0.00    -0.260 N 
ATOM      6  C   LIG    1        0.145  -1.826   1.830  0.00  0.00    +0.292 C 
ATOM      7  C   LIG    1       -1.120  -2.377   1.133  0.00  0.00    +0.250 C 
ATOM      8  O   LIG    1       -1.544  -3.507   1.203  0.00  0.00    -0.282 OA
ATOM      9  O   LIG    1        0.897  -2.470   2.530  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.683  -1.249   0.382  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.806  -1.189  -0.432  0.00  0.00    -0.037 A 
ATOM     12  C   LIG    1       -3.677  -2.381  -0.674  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.081   0.052  -1.025  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  14
ATOM     14  C   LIG    1        1.290   0.385   1.865  0.00  0.00    +0.149 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.383   0.469   0.823  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        2.583   1.646   0.086  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        3.586   1.718  -0.890  0.00  0.00    +0.060 A 
ATOM     18 CL   LIG    1        3.754   3.204  -1.754  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1        4.403   0.610  -1.134  0.00  0.00    +0.059 A 
ATOM     20 CL   LIG    1        5.657   0.627  -2.321  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        4.216  -0.563  -0.399  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        3.214  -0.633   0.573  0.00  0.00    +0.007 A 
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 2