REMARK  Name = BDB054070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.913   2.506  -0.210  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        2.351   1.197   0.066  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1        3.014  -0.018  -0.081  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.043  -1.021   0.103  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        2.425  -2.374  -0.023  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        3.747  -2.707  -0.324  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        4.705  -1.714  -0.481  0.00  0.00    +0.061 A 
ATOM      8 CL   LIG    1        6.321  -2.236  -0.828  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1        0.812  -0.377   0.429  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.549  -0.941   0.786  0.00  0.00    +0.147 C 
ATOM     11  C   LIG    1       -1.661   0.172   0.603  0.00  0.00    +0.057 C 
ATOM     12  C   LIG    1       -2.927  -0.234   1.400  0.00  0.00    +0.042 C 
ATOM     13  C   LIG    1       -4.168   0.477   0.870  0.00  0.00    +0.083 C 
ATOM     14  N   LIG    1       -4.469   0.111  -0.508  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1       -5.014   0.848  -0.957  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.315  -0.251  -1.323  0.00  0.00    +0.083 C 
ATOM     17  N   LIG    1       -1.165   1.464   1.174  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -1.832   2.199   1.381  0.00  0.00    +0.150 HD
ATOM     19  C   LIG    1        0.093   1.971   0.932  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1        0.321   3.158   1.130  0.00  0.00    -0.269 OA
ATOM     21  C   LIG    1       -2.023   0.439  -0.890  0.00  0.00    +0.042 C 
ATOM     22  C   LIG    1        4.366  -0.353  -0.356  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        5.592   0.862  -0.487  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        1.057   0.986   0.488  0.00  0.00    +0.110 A 
ENDROOT
BRANCH  10  25
ATOM     25  C   LIG    1       -0.858  -2.167   0.029  0.00  0.00    +0.073 C 
ATOM     26  N   LIG    1       -1.104  -3.141  -0.554  0.00  0.00    -0.196 NA
ENDBRANCH  10  25
TORSDOF 1