REMARK  Name = BDB025396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.726   0.572  -0.490  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -2.295   0.721  -0.084  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1       -1.589  -0.544  -0.420  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.158  -1.726  -0.841  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.080  -2.595  -1.035  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        0.084  -2.023  -0.748  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.625  -1.866  -1.008  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1       -0.229  -0.760  -0.339  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        0.766   0.128   0.118  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.419   1.220   0.555  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.338  -0.763  -0.200  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.191  -0.406   0.045  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.228   0.701  -0.145  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.420   0.707   0.610  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        5.341   1.759   0.410  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1        5.123   2.739  -0.559  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        3.974   2.694  -1.340  0.00  0.00    +0.002 A 
ATOM     18 CL   LIG    1        6.800   1.843   1.340  0.00  0.00    -0.082 Cl
ATOM     19  N   LIG    1        4.634  -0.245   1.627  0.00  0.00    -0.342 N 
ATOM     20  H   LIG    1        5.627  -0.336   1.841  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        3.931  -1.503   1.471  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        3.036   1.681  -1.139  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.449  -1.223   1.320  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  25
ATOM     24  C   LIG    1       -4.898   2.014   1.491  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1       -4.700   1.936  -0.280  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1       -5.997   1.645  -0.853  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1       -3.943   3.096  -0.694  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   5  28
ATOM     28  N   LIG    1       -1.193  -3.856  -1.463  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1       -1.999  -4.132  -2.011  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -0.336  -4.297  -1.781  0.00  0.00    +0.144 HD
ENDBRANCH   5  28
TORSDOF 3