REMARK  Name = BDB017661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.928   2.773   1.229  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -5.288   1.804   0.832  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.827   0.874  -0.197  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -7.200   1.181  -0.734  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.801   0.011  -1.519  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.759  -0.615  -2.438  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.591  -1.003  -1.654  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.853  -1.411  -2.221  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -5.109  -0.178  -0.640  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.778  -0.452  -0.046  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.269   0.442   0.908  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.015   0.248   1.493  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.236  -0.863   1.144  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.746  -1.777   0.214  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.003  -1.575  -0.370  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.034   1.543   1.304  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.683   2.187   2.000  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.118  -1.083   1.784  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.050   0.035   1.566  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.379   0.194   0.129  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        2.753   0.848  -0.142  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        3.836   0.030   0.434  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.496  -0.730   1.651  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.276  -0.115   2.378  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.138   0.099  -0.033  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.579   1.152  -0.853  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        6.891   1.217  -1.327  0.00  0.00    +0.155 A 
ATOM     28  F   LIG    1        7.231   2.240  -2.123  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1        7.796   0.224  -0.990  0.00  0.00    +0.161 A 
ATOM     30  C   LIG    1        7.403  -0.848  -0.191  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        6.084  -0.898   0.278  0.00  0.00    +0.025 A 
BRANCH  29  32
ATOM     32  N   LIG    1        9.157   0.292  -1.478  0.00  0.00    +0.059 N 
ATOM     33  O   LIG    1        9.680  -0.774  -1.835  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1        9.721   1.394  -1.475  0.00  0.00    -0.126 OA
ENDBRANCH  29  32
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 4