REMARK  Name = BDB059101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.240  -1.870  -0.512  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        2.731  -0.892   0.034  0.00  0.00    +0.231 C 
ATOM      3  C   LIG    1        1.987   0.415   0.431  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1        1.367   1.004  -0.845  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        0.098   0.262  -1.261  0.00  0.00    +0.109 C 
ATOM      6  N   LIG    1       -0.864   0.117  -0.166  0.00  0.00    -0.301 N 
ATOM      7  C   LIG    1       -0.450   0.603   1.153  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.941   0.081   1.508  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1        3.136   1.259   0.966  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        4.326   0.523   0.899  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.545   1.043   1.306  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.571   2.344   1.807  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        4.388   3.090   1.895  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.166   2.550   1.477  0.00  0.00    +0.047 A 
ATOM     15 CL   LIG    1        1.755   3.518   1.639  0.00  0.00    -0.083 Cl
ATOM     16  N   LIG    1        4.070  -0.747   0.383  0.00  0.00    -0.268 N 
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1       -2.205  -0.142  -0.397  0.00  0.00    +0.198 A 
ATOM     18  N   LIG    1       -2.543  -0.761  -1.571  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1       -1.830  -1.069  -2.207  0.00  0.00    +0.172 HD
ATOM     20  C   LIG    1       -3.819  -1.097  -1.911  0.00  0.00    +0.256 A 
ATOM     21  O   LIG    1       -4.083  -1.682  -2.957  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -4.855  -0.709  -0.938  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -6.283  -1.036  -1.250  0.00  0.00    +0.042 C 
ATOM     24  C   LIG    1       -7.204  -0.887  -0.038  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.873   0.374   0.751  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -5.421   0.354   1.236  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -4.435  -0.097   0.182  0.00  0.00    +0.053 A 
ATOM     28  N   LIG    1       -3.121   0.179   0.467  0.00  0.00    -0.220 NA
ENDBRANCH   6  17
BRANCH  16  29
ATOM     29  C   LIG    1        5.071  -1.754   0.113  0.00  0.00    +0.141 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.665  -1.629  -1.290  0.00  0.00    +0.175 C 
BRANCH  30  31
ATOM     31  O   LIG    1        6.628  -2.652  -1.518  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        6.144  -3.492  -1.608  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  16  29
TORSDOF 4