REMARK  Name = BDB000688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.155   1.201   0.180  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.944   0.346  -0.054  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -3.657   0.900   0.045  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.527   0.101  -0.142  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.696  -1.250  -0.415  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1       -1.584  -2.087  -0.608  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1       -0.286  -1.596  -0.532  0.00  0.00    +0.350 A 
ATOM      8  C   LIG    1       -0.107  -0.157  -0.239  0.00  0.00    +0.122 A 
ATOM      9  O   LIG    1        0.677  -2.341  -0.705  0.00  0.00    -0.244 OA
ATOM     10  C   LIG    1       -3.959  -1.826  -0.503  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.178   0.635  -0.056  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -5.085  -1.024  -0.316  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.245   0.496  -0.130  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1        2.318  -0.348  -0.325  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        2.102  -1.327  -0.523  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        1.325   1.697   0.117  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.693  -0.032  -0.285  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        4.201   1.243  -0.031  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1        5.582   1.454  -0.014  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        6.202   3.030   0.300  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        6.468   0.405  -0.247  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.970  -0.870  -0.501  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.589  -1.085  -0.520  0.00  0.00    +0.023 A 
ENDBRANCH  14  17
ENDBRANCH   8  13
TORSDOF 2