REMARK  Name = BDB006659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.136  -0.508   1.221  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.826  -0.443   0.738  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.500   0.149   0.999  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.309  -0.456  -0.108  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.498  -1.296  -0.941  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1       -0.160  -1.928  -1.928  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.791  -1.252  -0.360  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -3.032  -1.758  -0.523  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1       -3.878  -1.321   0.446  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.683  -0.250  -0.257  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        2.400  -0.736  -1.291  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        3.765  -0.486  -1.379  0.00  0.00    -0.285 N 
ATOM     13  C   LIG    1        4.472   0.252  -0.450  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        5.736   0.314  -0.805  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        5.879  -0.386  -1.980  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        3.760   0.786   0.669  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1        4.444   1.600   1.738  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1        4.699  -0.863  -2.321  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        4.392  -1.679  -3.517  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        2.430   0.532   0.745  0.00  0.00    +0.032 A 
ENDBRANCH   4  10
BRANCH   3  21
ATOM     21  C   LIG    1       -0.688   1.652   0.918  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.719   2.406   2.107  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.891   3.792   2.071  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.034   4.441   0.848  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -1.246   6.148   0.806  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -1.008   3.717  -0.340  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.837   2.330  -0.306  0.00  0.00    +0.007 A 
ENDBRANCH   3  21
BRANCH   8  28
ATOM     28  C   LIG    1       -3.530  -2.683  -1.566  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -2.737  -3.831  -2.136  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.092  -2.657  -3.007  0.00  0.00    +0.029 C 
ENDBRANCH   8  28
BRANCH   1  32
ATOM     31  C   LIG    1       -3.272  -0.424   3.719  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -3.746   0.168   2.401  0.00  0.00    +0.054 C 
ENDBRANCH   1  32
TORSDOF 4