REMARK  Name = BDB008399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.669  -0.657   1.786  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -0.707  -0.587   1.465  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -1.663  -0.814   2.458  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.259  -1.097   3.764  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.097  -1.159   4.076  0.00  0.00    +0.043 A 
ATOM      6 CL   LIG    1        0.578  -1.513   5.691  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        1.063  -0.942   3.095  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        3.639  -0.518   1.769  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.954  -0.386   0.763  0.00  0.00    +0.251 C 
ATOM     10  N   LIG    1        1.574  -0.430   0.724  0.00  0.00    -0.278 N 
ATOM     11  H   LIG    1        1.115  -0.220  -0.156  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        3.560  -0.165  -0.551  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        4.711   0.659  -0.807  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        5.076   0.653  -2.151  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        6.169   1.406  -2.554  0.00  0.00    +0.129 A 
ATOM     16  N   LIG    1        6.849   2.128  -1.642  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1        6.425   2.082  -0.370  0.00  0.00    +0.221 A 
ATOM     18  S   LIG    1        4.038  -0.336  -3.085  0.00  0.00    -0.093 S 
ATOM     19  N   LIG    1        5.385   1.397   0.112  0.00  0.00    -0.234 NA
ATOM     20  C   LIG    1        3.110  -0.763  -1.718  0.00  0.00    +0.061 A 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   2  21
ATOM     21  O   LIG    1       -0.984  -0.311   0.147  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.320   0.037  -0.229  0.00  0.00    +0.174 C 
ATOM     23  C   LIG    1       -3.099  -1.213  -0.644  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -4.532  -0.884  -1.066  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -4.701   0.551  -1.573  0.00  0.00    +0.115 C 
ATOM     26  C   LIG    1       -3.457   1.040  -2.307  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -2.211   1.007  -1.420  0.00  0.00    +0.047 C 
BRANCH  25  28
ATOM     28  O   LIG    1       -5.836   0.629  -2.424  0.00  0.00    -0.392 OA
ATOM     29  H   LIG    1       -5.667   0.083  -3.211  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 5