REMARK  Name = BDB012677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.867  -0.346   0.519  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.295  -1.651   0.399  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.060  -1.489   0.682  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.971  -2.557   0.666  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.472  -3.823   0.352  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.123  -4.002   0.068  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.324  -5.229  -0.230  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.208  -0.147   0.936  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1       -0.778  -2.938   0.084  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.058   0.553   0.860  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.187  -0.125   0.307  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.754  -0.938   0.053  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -4.355   1.031   0.088  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -2.969   1.054   0.358  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.447   2.309   0.674  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.161   3.465   0.734  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.476   3.387   0.468  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -5.115   2.208   0.143  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -4.470  -1.336  -0.341  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -5.021  -0.251  -0.260  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -6.340  -0.126  -0.490  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.640  -1.034  -0.705  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1        2.435   0.544   1.316  0.00  0.00    +0.179 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.357   0.763   0.142  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        4.663   0.251   0.157  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.521   0.463  -0.924  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.086   1.194  -2.027  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.795   1.718  -2.051  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.936   1.507  -0.972  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6