REMARK  Name = BDB018401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.643  -0.757  -0.853  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1       -0.861  -0.278   0.420  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1       -2.206   0.022   0.527  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1       -2.855  -0.287  -0.618  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -1.915  -0.740  -1.446  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        1.845  -0.410  -1.279  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1        0.606  -1.196  -1.410  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        0.673  -2.362  -2.083  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1        1.847  -2.846  -2.632  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        1.814  -4.125  -3.325  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.050  -2.167  -2.517  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1        4.127  -2.554  -2.962  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.996  -0.871  -1.798  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1        1.684   0.790  -0.620  0.00  0.00    -0.489 OA
BRANCH  14  16
ATOM     15  C   LIG    1        2.164   3.092  -0.311  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        2.776   1.702  -0.474  0.00  0.00    +0.167 C 
ATOM     17  C   LIG    1        3.593   1.343   0.763  0.00  0.00    +0.051 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.894   0.580   1.649  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -4.293   0.776   1.657  0.00  0.00    +0.077 A 
ATOM     20  C   LIG    1       -4.902   1.338   2.797  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1       -4.152   1.702   3.914  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.777   1.510   3.908  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -2.151   0.954   2.789  0.00  0.00    +0.029 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -5.189   0.433   0.583  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -6.003   0.191  -0.211  0.00  0.00    -0.191 NA
ENDBRANCH  19  24
ENDBRANCH   3  18
TORSDOF 5