REMARK  Name = BDB053775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.677   0.627   1.098  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.185   1.897   0.808  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1       -0.133   2.811   0.751  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.054   2.078   0.875  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        2.288   2.749   0.815  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.251   4.119   0.654  0.00  0.00    +0.113 A 
ATOM      7  N   LIG    1        1.117   4.837   0.594  0.00  0.00    -0.241 NA
ATOM      8  C   LIG    1       -0.078   4.207   0.673  0.00  0.00    +0.154 A 
ATOM      9 CL   LIG    1       -1.397   5.287   0.792  0.00  0.00    -0.060 Cl
ATOM     10  C   LIG    1        0.706   0.718   1.118  0.00  0.00    +0.107 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.631  -0.362   1.424  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.405  -0.849   0.378  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.369  -1.911   0.663  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.484  -1.983  -0.394  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.025  -2.108  -1.788  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.084  -3.083  -2.084  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        2.642  -1.641  -1.971  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.239  -0.488  -1.034  0.00  0.00    +0.123 C 
ATOM     19  O   LIG    1        1.728  -0.788   2.572  0.00  0.00    -0.270 OA
ENDBRANCH  10  11
BRANCH   2  20
ATOM     20  C   LIG    1       -2.553   2.147   0.491  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -3.571   1.612   1.289  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.908   1.823   0.947  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.231   2.556  -0.194  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.219   3.075  -1.000  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.880   2.869  -0.665  0.00  0.00    +0.026 A 
ENDBRANCH   2  20
BRANCH   1  26
ATOM     26  O   LIG    1       -1.519  -0.411   1.238  0.00  0.00    -0.438 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -1.961  -0.981  -1.566  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -1.384  -1.975  -0.600  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -1.181  -1.652   0.754  0.00  0.00    +0.136 A 
ATOM     30  C   LIG    1       -0.721  -2.609   1.658  0.00  0.00    +0.085 A 
ATOM     31  C   LIG    1       -0.398  -3.876   1.196  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1        0.068  -4.795   2.052  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -0.550  -4.211  -0.144  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -1.047  -3.264  -1.041  0.00  0.00    +0.010 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 4