REMARK  Name = BDB018783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.628  -1.846  -2.759  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -2.627  -0.802  -2.378  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -3.030  -0.281  -0.980  0.00  0.00    +0.205 C 
ATOM      4  C   LIG    1       -3.756   1.074  -1.128  0.00  0.00    +0.263 C 
ATOM      5  O   LIG    1       -4.964   1.203  -1.300  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1       -2.924   2.165  -1.140  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -3.342   3.068  -1.333  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.589   2.050  -0.750  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -1.094   0.840  -0.259  0.00  0.00    +0.238 A 
ATOM     10  N   LIG    1        0.171   0.666   0.166  0.00  0.00    -0.207 NA
ATOM     11  C   LIG    1        0.985   1.757   0.092  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1        0.577   3.001  -0.380  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -0.742   3.150  -0.805  0.00  0.00    +0.031 A 
ATOM     14  O   LIG    1       -1.892  -0.266  -0.113  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1       -3.982  -1.364  -0.469  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1       -4.681  -1.877  -1.716  0.00  0.00    +0.121 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.395   1.555   0.565  0.00  0.00    +0.267 C 
ATOM     18  N   LIG    1        2.629   0.270   1.016  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        1.817  -0.343   0.964  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        3.189   2.486   0.521  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.822  -0.271   1.525  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        5.011   0.453   1.654  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        6.157  -0.159   2.171  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        6.112  -1.492   2.557  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        7.211  -2.076   3.051  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.941  -2.228   2.436  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        3.795  -1.617   1.920  0.00  0.00    +0.026 A 
ENDBRANCH  18  21
ENDBRANCH  11  17
BRANCH   1  29
ATOM     28  N   LIG    1       -3.960  -2.640  -5.102  0.00  0.00    -0.174 NA
ATOM     29  C   LIG    1       -3.809  -2.279  -4.014  0.00  0.00    +0.169 C 
ENDBRANCH   1  29
TORSDOF 3