REMARK  Name = BDB051673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.488  -3.088  -1.716  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.917  -2.257  -1.023  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -2.564  -0.974  -0.628  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -1.813   0.035   0.005  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.469   1.175   0.496  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -1.684   2.194   1.279  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.523   1.507   2.001  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        0.345   0.816   1.047  0.00  0.00    -0.289 N 
ATOM      9  C   LIG    1        1.723   0.958   1.205  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        2.241   1.508   2.174  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.840   1.342   0.267  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.567   0.361  -0.409  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.302  -0.129   0.115  0.00  0.00    +0.125 C 
ATOM     14  C   LIG    1       -0.031  -1.612   0.444  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -3.935  -0.804  -0.844  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -0.644  -2.477  -0.548  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -0.283  -3.410  -0.713  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.638   0.437   0.166  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        3.646  -0.457   0.544  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        4.540  -0.941  -0.414  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        4.434  -0.511  -1.738  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        5.535  -1.107  -2.917  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        3.451   0.406  -2.111  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        2.556   0.892  -1.155  0.00  0.00    +0.014 A 
ENDBRANCH   9  18
TORSDOF 1