REMARK  Name = BDB006143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.307  -0.220  -0.375  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.660   0.035  -1.810  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.533   0.395  -2.594  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.463   0.650  -3.786  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.574   0.374  -1.665  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.872   0.630  -1.748  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.315   0.401  -0.475  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        1.292   0.051   0.406  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.163   0.026  -0.388  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.465  -1.039   2.329  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.401   0.396   1.872  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.890   0.789   0.610  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.924   2.164   0.277  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.448   3.117   1.151  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.957   2.715   2.377  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.611   3.882   3.458  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.941   1.370   2.736  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.997  -0.086  -2.305  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -4.003  -0.754  -1.585  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -3.712  -1.373  -0.431  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.314  -0.843  -2.067  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -6.522  -1.673  -1.161  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.655  -0.272  -3.288  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.677   0.385  -4.026  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.365   0.474  -3.539  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.403  -0.200   1.885  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.453  -1.237   2.267  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        1.568   1.097   2.675  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.739   0.619  -0.217  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.598  -0.603  -0.452  0.00  0.00    -0.023 A 
ATOM     31  C   LIG    1        4.428  -1.436  -1.564  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        5.279  -2.518  -1.730  0.00  0.00    +0.111 A 
ATOM     33  N   LIG    1        6.286  -2.819  -0.884  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1        6.459  -1.992   0.166  0.00  0.00    +0.111 A 
ATOM     35  C   LIG    1        5.660  -0.886   0.416  0.00  0.00    +0.025 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5