REMARK  Name = BDB012506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.631  -2.337   1.509  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1       -5.020  -1.730   0.353  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -5.607  -1.139  -0.220  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.652  -1.615   0.280  0.00  0.00    +0.319 C 
ATOM      5  N   LIG    1       -3.209  -0.914  -0.864  0.00  0.00    -0.273 N 
ATOM      6  C   LIG    1       -1.936  -0.467  -1.088  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1       -0.685  -0.435  -0.303  0.00  0.00    +0.160 C 
ATOM      8  N   LIG    1        0.262   0.067  -1.372  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -0.434   0.410  -2.571  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -0.029   0.889  -3.616  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.805   0.043  -2.341  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1       -3.057   0.010  -2.951  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -3.916  -0.571  -2.026  0.00  0.00    +0.096 A 
ATOM     14  O   LIG    1       -2.833  -2.044   1.079  0.00  0.00    -0.249 OA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        1.645   0.144  -1.173  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        2.244  -0.309  -0.051  0.00  0.00    +0.118 A 
ATOM     17  N   LIG    1        3.623  -0.203   0.102  0.00  0.00    -0.285 N 
ATOM     18  C   LIG    1        4.462   0.342  -0.850  0.00  0.00    +0.164 A 
ATOM     19  N   LIG    1        5.705   0.293  -0.420  0.00  0.00    -0.129 NA
ATOM     20  N   LIG    1        5.698  -0.284   0.828  0.00  0.00    -0.134 NA
ATOM     21  C   LIG    1        3.879   0.834  -2.057  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1        4.706   1.454  -3.154  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1        4.452  -0.577   1.139  0.00  0.00    +0.135 A 
ATOM     24  C   LIG    1        3.985  -1.202   2.395  0.00  0.00    +0.088 C 
ATOM     25  C   LIG    1        2.533   0.731  -2.190  0.00  0.00    +0.032 A 
ENDBRANCH   8  15
BRANCH   7  26
ATOM     26  C   LIG    1       -0.768   0.509   0.892  0.00  0.00    -0.021 A 
ATOM     27  C   LIG    1       -0.844   1.905   0.736  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -0.919   2.747   1.849  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.927   2.204   3.130  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -1.025   3.239   4.499  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -0.861   0.825   3.308  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -0.783  -0.017   2.196  0.00  0.00    +0.007 A 
ENDBRANCH   7  26
TORSDOF 2