REMARK  Name = BDB056765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.658  -1.092   1.136  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.200  -0.286   0.029  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.059   0.255  -0.099  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.018   0.927  -1.317  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.154   1.614  -1.770  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.311   1.602  -0.982  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.335   0.902   0.228  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.213   0.801  -1.906  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.203   0.231   0.709  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.945   0.085  -1.072  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.445   0.897   1.046  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.651   0.562   0.473  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        5.805  -0.524  -0.397  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        7.068  -0.825  -0.909  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        8.163  -0.052  -0.536  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        9.374  -0.345  -1.028  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        8.022   1.015   0.345  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        6.761   1.319   0.858  0.00  0.00    +0.049 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.372  -0.304  -1.301  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.109   0.034  -0.126  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.447  -0.244  -0.127  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.105   0.058   1.067  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.474  -0.188   1.202  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.204  -0.708   0.128  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.549  -1.007  -1.066  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.174  -0.782  -1.192  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.126   0.144   2.489  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -6.849   1.134   3.141  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -8.020  -0.787   2.883  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -8.016  -1.606   2.354  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7