REMARK  Name = BDB031052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.256  -0.983   1.770  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1       -0.213  -1.309   0.985  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.426  -2.477   1.220  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.049  -3.349   2.232  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.019  -2.995   3.047  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.679  -1.792   2.815  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.522  -2.785   0.310  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        2.397  -1.871  -0.262  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        3.267  -2.605  -1.069  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        4.270  -1.888  -1.776  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        4.361  -0.552  -1.644  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.448   0.208  -0.787  0.00  0.00    -0.025 A 
ATOM     13  N   LIG    1        3.010  -3.893  -1.026  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        2.505  -0.484  -0.116  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1        1.939  -4.010  -0.184  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1        3.654   1.675  -0.696  0.00  0.00    -0.006 C 
ATOM     17  C   LIG    1        2.445   2.563  -0.938  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1        3.525   2.486  -1.973  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        4.657   2.133   0.334  0.00  0.00    +0.016 C 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  N   LIG    1       -1.860   0.245   1.483  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -1.271   0.598   0.722  0.00  0.00    +0.148 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -3.612   1.375   0.151  0.00  0.00    +0.153 C 
ATOM     23  C   LIG    1       -3.232   0.119   0.953  0.00  0.00    +0.115 C 
ATOM     24  C   LIG    1       -4.320   0.090   2.036  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1       -5.472   0.870   1.549  0.00  0.00    -0.312 NA
ATOM     26  H   LIG    1       -6.317   0.300   1.542  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.136   1.303   0.190  0.00  0.00    +0.114 C 
BRANCH  22  29
ATOM     28  C   LIG    1       -3.221   2.503  -1.897  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -3.070   1.292  -1.169  0.00  0.00    -0.377 OA
ENDBRANCH  22  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5