REMARK  Name = BDB012167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.973  -1.482  -3.085  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.658  -1.836  -1.948  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.494  -1.393  -1.331  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -0.112  -1.746   0.037  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        1.357  -1.464   0.317  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        1.711   0.011   0.065  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        0.876   0.636  -1.065  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        0.349  -0.419  -2.030  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.168   0.139  -0.214  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        3.956   0.645   0.781  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        5.194   0.639   0.194  0.00  0.00    +0.250 A 
ATOM     12  N   LIG    1        5.165   0.130  -1.024  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1        3.849  -0.183  -1.293  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        6.336   1.081   0.984  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        6.280   2.057   1.994  0.00  0.00    +0.053 A 
ATOM     16 CL   LIG    1        4.838   2.925   2.403  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        7.436   2.408   2.707  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        8.658   1.802   2.421  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.735   0.846   1.415  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        7.586   0.493   0.703  0.00  0.00    +0.015 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1       -2.570  -2.734  -1.124  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.912  -3.069  -1.788  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.787  -1.892  -2.238  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.741  -0.716  -1.294  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -3.874   0.288  -1.639  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -3.278   0.185  -2.456  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -3.614   1.365  -0.832  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -2.731   2.178  -1.079  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -4.447   1.460   0.379  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -5.340   0.414   0.630  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -6.137   0.479   1.774  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -6.041   1.566   2.648  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -5.142   2.601   2.385  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -4.338   2.551   1.247  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -5.455  -0.702  -0.217  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6