REMARK  Name = BDB063028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.018  -0.055   0.643  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.525   0.298  -0.618  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        0.855   0.273  -0.867  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1        1.486   0.736  -2.818  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1        1.760  -0.082   0.144  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        1.261  -0.487   1.389  0.00  0.00    +0.057 A 
ATOM      7  I   LIG    1        2.506  -1.209   2.918  0.00  0.00    -0.040 I 
ATOM      8  C   LIG    1       -0.115  -0.458   1.640  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.480  -0.051   0.984  0.00  0.00    +0.174 C 
ATOM     10  O   LIG    1       -2.802  -0.411   2.116  0.00  0.00    -0.291 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -4.923  -0.129   0.281  0.00  0.00    +0.188 C 
ATOM     12  C   LIG    1       -3.499   0.376  -0.056  0.00  0.00    +0.134 C 
ATOM     13  C   LIG    1       -3.788   1.839  -0.099  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -5.158   2.015  -0.239  0.00  0.00    +0.125 A 
ATOM     15  C   LIG    1       -5.734   3.260  -0.385  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.893   4.373  -0.372  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.506   4.212  -0.223  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.943   2.938  -0.092  0.00  0.00    +0.008 A 
ATOM     19  O   LIG    1       -5.871   0.845  -0.235  0.00  0.00    -0.487 OA
BRANCH  11  20
ATOM     20  C   LIG    1       -5.210  -1.497  -0.351  0.00  0.00    +0.045 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.600  -2.022   0.024  0.00  0.00    +0.003 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -6.907  -3.558  -1.991  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -6.864  -3.444  -0.475  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  24
ATOM     24  O   LIG    1        3.107  -0.123  -0.112  0.00  0.00    -0.490 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.734   1.128   0.205  0.00  0.00    +0.227 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.216   1.014  -0.158  0.00  0.00    +0.023 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.879  -0.126   0.618  0.00  0.00    -0.073 C 
BRANCH  27  28
ATOM     28  N   LIG    1        7.377  -0.311   0.296  0.00  0.00    +0.374 N 
ATOM     29  C   LIG    1        8.189   0.930   0.641  0.00  0.00    -0.093 C 
ATOM     30  C   LIG    1        7.589  -0.676  -1.170  0.00  0.00    -0.093 C 
ATOM     31  C   LIG    1        7.892  -1.474   1.154  0.00  0.00    -0.093 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 10