REMARK  Name = BDB021020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.815   5.138  -2.416  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.049   4.376  -2.001  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.863   3.238  -1.226  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.586   2.916  -0.587  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1       -1.531   1.492  -0.165  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1       -2.609   0.641  -0.259  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -2.216  -0.613   0.133  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1       -0.952  -0.592   0.508  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -3.905   1.052  -0.760  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1       -0.518   0.703   0.344  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1       -4.049   2.567  -0.690  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -4.162   4.759  -2.359  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1        0.850   1.101   0.623  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.892   0.243   0.233  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.234   0.597   0.486  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.522   0.035   0.257  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1        5.504   0.841   0.679  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1        4.856   1.889   1.214  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        5.615   2.966   1.804  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1        3.489   1.812   1.122  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.470   2.678   1.542  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        1.147   2.296   1.286  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1        4.810  -1.254  -0.365  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        4.005  -2.350  -0.583  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        4.798  -3.283  -1.188  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        4.410  -4.607  -1.610  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.065  -2.874  -1.380  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.072  -1.639  -0.865  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH  10  13
BRANCH   7  29
ATOM     29  C   LIG    1       -3.108  -1.821   0.133  0.00  0.00    +0.058 C 
ATOM     30  C   LIG    1       -2.346  -3.079  -0.297  0.00  0.00    +0.026 C 
ATOM     31  C   LIG    1       -3.272  -4.298  -0.294  0.00  0.00    +0.081 C 
ATOM     32  N   LIG    1       -4.226  -4.345   0.818  0.00  0.00    -0.316 NA
ATOM     33  H   LIG    1       -5.148  -4.061   0.490  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -3.821  -3.490   1.930  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -3.761  -2.020   1.513  0.00  0.00    +0.026 C 
ENDBRANCH   7  29
TORSDOF 3