REMARK  Name = BDB012694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.509  -0.208   0.440  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        0.025  -1.485   0.801  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.409  -1.345   0.714  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.299  -2.396   0.986  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.746  -3.623   1.364  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.369  -3.778   1.460  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.131  -4.967   1.825  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.604  -0.044   0.327  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -0.510  -2.731   1.185  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.468   0.653   0.151  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -1.844   0.025   0.413  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.460  -0.749   0.666  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -4.009   1.177   0.132  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -2.598   1.177   0.090  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.017   2.388  -0.291  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -2.694   3.523  -0.613  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.035   3.470  -0.557  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -4.730   2.336  -0.195  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -6.058  -0.018   0.550  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -4.840   0.003   0.509  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.138  -1.105   0.823  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -4.847  -1.752   1.040  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        2.875   0.618   0.091  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.303   0.508  -1.370  0.00  0.00    +0.051 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.609   1.243  -1.624  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.636   0.671  -0.828  0.00  0.00    -0.395 OA
ATOM     27  H   LIG    1        6.464   1.130  -1.058  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 8