REMARK  Name = BDB018804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.602   0.885  -0.450  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.292   0.452  -0.294  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.791   1.250   0.132  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.968   0.494   0.174  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -3.189   1.056   0.555  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -3.190   2.420   0.887  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.011   3.178   0.849  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.701  -0.930  -0.205  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.801   2.593   0.471  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.237  -0.876  -0.649  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        1.990   2.022  -0.171  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.427   0.274   0.608  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -4.654  -0.643   1.646  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -5.834  -1.390   1.694  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.802  -1.228   0.706  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.594  -0.319  -0.329  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.414   0.428  -0.377  0.00  0.00    +0.008 A 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     18  C   LIG    1        4.661  -1.141  -0.115  0.00  0.00    +0.138 C 
ATOM     19  C   LIG    1        5.006   0.136  -0.880  0.00  0.00    +0.148 C 
ATOM     20  N   LIG    1        3.785   0.420  -1.668  0.00  0.00    -0.255 N 
ATOM     21  C   LIG    1        2.609  -0.169  -0.942  0.00  0.00    +0.172 C 
ATOM     22  C   LIG    1        3.206  -0.903   0.263  0.00  0.00    +0.065 C 
BRANCH  18  24
ATOM     23  C   LIG    1        6.775  -1.696   0.802  0.00  0.00    +0.194 C 
ATOM     24  O   LIG    1        5.423  -1.347   1.067  0.00  0.00    -0.378 OA
ENDBRANCH  18  24
BRANCH  20  25
ATOM     25  C   LIG    1        3.702   1.328  -2.647  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1        3.639   2.078  -3.526  0.00  0.00    -0.174 NA
ENDBRANCH  20  25
ENDBRANCH   1  21
TORSDOF 4