REMARK  Name = BDB046588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.263   0.204   0.067  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.959  -0.755   1.044  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        0.082  -1.664   0.843  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.834  -1.606  -0.332  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.524  -0.674  -1.324  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.516   0.234  -1.121  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.937  -2.557  -0.574  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.985  -2.628   0.310  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.711  -3.248  -0.025  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.921  -3.266  -1.575  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.376  -1.635   1.292  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.066  -0.456   0.654  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        3.426   0.790   0.580  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        4.059   1.879  -0.025  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.336   1.727  -0.560  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        6.116   3.067  -1.305  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        5.985   0.496  -0.497  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.351  -0.593   0.107  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.398   1.181   0.277  0.00  0.00    +0.049 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.791   0.542   0.147  0.00  0.00    +0.102 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.268   0.919   0.629  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -4.885   1.552   0.533  0.00  0.00    +0.011 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1       -4.029   0.021  -1.253  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.459  -1.086  -1.536  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.780   0.919  -2.224  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.997   0.431  -3.047  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8