REMARK  Name = BDB056766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.658  -1.030   1.411  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.196  -0.463   0.166  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.033   0.118  -0.040  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.011   0.496  -1.379  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.130   1.129  -1.941  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.250   1.365  -1.134  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.255   0.963   0.205  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.185   0.168  -1.962  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.139   0.350   0.788  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.909  -0.397  -1.013  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.322   1.213   1.045  0.00  0.00    -0.453 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.569   0.879   0.572  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        5.901  -0.414   0.164  0.00  0.00    +0.165 A 
ATOM     14  F   LIG    1        4.995  -1.402   0.206  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1        7.189  -0.707  -0.276  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        8.159   0.296  -0.295  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        7.838   1.586   0.135  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.546   1.877   0.577  0.00  0.00    +0.049 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.299  -0.920  -1.185  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.120  -0.267  -0.216  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.447  -0.596  -0.201  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.197   0.081   0.764  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.570  -0.161   0.884  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.192  -1.102   0.061  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.445  -1.775  -0.904  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.076  -1.519  -1.039  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.386   0.541   1.899  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -8.256  -0.011   2.549  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -7.095   1.855   1.996  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.497   2.193   1.303  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7