REMARK  Name = BDB006062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.150   2.111  -0.323  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.962   1.816  -0.385  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.511   0.435  -0.164  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.155   0.175  -0.252  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.622  -1.107  -0.052  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.234  -1.387  -0.134  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.452  -0.379  -0.411  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -1.922   0.896  -0.626  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -1.226   1.614  -0.801  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.512  -2.142   0.242  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.889  -1.895   0.332  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.232   1.273  -0.561  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -3.634   2.495  -0.752  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -6.392  -0.606   0.130  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.977   2.741  -0.661  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.271   3.700  -0.817  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.054  -0.615  -0.531  0.00  0.00    +0.155 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.757   0.629  -0.166  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1        0.642   0.783   0.838  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.190   0.565  -0.483  0.00  0.00    +0.086 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.994  -0.387   0.415  0.00  0.00    +0.050 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.471  -0.334   0.104  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1        5.309   0.565   0.780  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        6.675   0.628   0.483  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1        7.637   1.762   1.364  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        7.214  -0.209  -0.499  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        8.889  -0.188  -0.920  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        6.383  -1.103  -1.179  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        5.019  -1.164  -0.882  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5