REMARK  Name = BDB061725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.085  -2.267   0.111  0.00  0.00    +0.176 A 
ATOM      2  C   LIG    1       -0.146  -1.609  -0.362  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.018  -0.474  -1.154  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.095   0.221  -1.648  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.379  -0.213  -1.330  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -2.553  -1.356  -0.548  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        1.374   0.014  -1.468  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        1.510   1.024  -2.153  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        2.435  -0.717  -0.943  0.00  0.00    -0.224 N 
ATOM     10  C   LIG    1       -1.440  -2.047  -0.057  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        2.287  -1.836  -0.156  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1        0.114  -4.274   1.111  0.00  0.00    -0.243 OA
ATOM     13  C   LIG    1        1.057  -3.521   0.998  0.00  0.00    +0.358 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.243  -3.673   1.621  0.00  0.00    -0.476 OA
ATOM     15  H   LIG    1        2.864  -2.986   1.286  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   5  16
ATOM     16  O   LIG    1       -3.428   0.490  -1.875  0.00  0.00    -0.456 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -4.502   0.751  -1.057  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1       -4.359   1.374   0.185  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -5.489   1.644   0.958  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -6.757   1.307   0.481  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.899   0.707  -0.770  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.770   0.436  -1.545  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH   5  16
BRANCH   9  23
ATOM     23  C   LIG    1        3.805  -0.264  -1.184  0.00  0.00    +0.182 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.350   0.518  -0.010  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1        4.003   1.868   0.165  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        4.482   2.592   1.262  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        4.004   4.247   1.405  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        5.314   1.969   2.197  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        5.944   2.797   3.577  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        5.662   0.625   2.031  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        5.181  -0.097   0.936  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 6