REMARK  Name = BDB014338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.836   3.779  -2.760  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.592   2.512  -2.026  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -2.444   1.918  -1.060  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -1.861   0.731  -0.612  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.544  -0.038   0.333  0.00  0.00    +0.099 A 
ATOM      6  N   LIG    1       -3.732   0.413   0.789  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -4.205   1.573   0.301  0.00  0.00    +0.240 A 
ATOM      8  N   LIG    1       -0.653   0.623  -1.275  0.00  0.00    -0.343 N 
ATOM      9  N   LIG    1       -3.634   2.380  -0.619  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1       -0.501   1.678  -2.146  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.097  -1.312   0.878  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.426  -1.368   2.109  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -0.996  -2.591   2.623  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       -0.138  -2.635   4.113  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -1.244  -3.776   1.933  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -1.935  -3.739   0.724  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -2.363  -2.515   0.203  0.00  0.00    +0.010 A 
ENDBRANCH   5  11
BRANCH   7  18
ATOM     18  C   LIG    1       -5.534   2.062   0.817  0.00  0.00    +0.374 C 
ATOM     19  O   LIG    1       -6.236   1.507   1.644  0.00  0.00    -0.242 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -5.874   3.244   0.228  0.00  0.00    -0.475 OA
ATOM     21  H   LIG    1       -5.168   3.512  -0.406  0.00  0.00    +0.296 HD
ENDBRANCH  18  20
ENDBRANCH   7  18
BRANCH   8  22
ATOM     22  C   LIG    1        0.349  -0.426  -1.135  0.00  0.00    +0.125 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.319  -0.198   0.041  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        2.261   0.994  -0.230  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.550   0.881   0.574  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        4.364  -0.356   0.156  0.00  0.00    -0.014 C 
ATOM     27  C   LIG    1        5.303  -0.775   1.287  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        3.469  -1.524  -0.295  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        2.097  -1.488   0.371  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5