REMARK  Name = BDB018452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.878   0.614   0.648  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -1.284  -0.719   0.459  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.950  -1.779   0.962  0.00  0.00    +0.101 A 
ATOM      4  N   LIG    1       -3.144  -1.658   1.649  0.00  0.00    -0.317 N 
ATOM      5  C   LIG    1       -3.772  -2.863   2.169  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -3.739  -0.426   1.883  0.00  0.00    +0.255 A 
ATOM      7  O   LIG    1       -4.786  -0.253   2.500  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.032   0.751   1.323  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.042  -0.913  -0.231  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        1.149  -0.274   0.019  0.00  0.00    +0.125 A 
ATOM     11  N   LIG    1        2.074  -0.774  -0.874  0.00  0.00    -0.221 N 
ATOM     12  N   LIG    1        1.526  -1.732  -1.677  0.00  0.00    -0.173 NA
ATOM     13  C   LIG    1        0.252  -1.799  -1.285  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        3.443  -0.380  -0.974  0.00  0.00    +0.154 A 
ATOM     15  N   LIG    1        3.904   0.576  -0.118  0.00  0.00    -0.236 NA
ATOM     16  C   LIG    1        5.202   0.930  -0.233  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        6.073   0.382  -1.159  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.587  -0.591  -2.025  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.253  -0.982  -1.936  0.00  0.00    +0.048 A 
ENDBRANCH  11  14
ENDBRANCH   2   9
BRANCH   1  20
ATOM     20  O   LIG    1       -1.162   1.636   0.063  0.00  0.00    -0.491 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -2.618   3.303  -0.931  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -1.611   2.986   0.161  0.00  0.00    +0.226 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4