REMARK  Name = BDB032073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.026  -3.532   1.781  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -1.442  -2.603   0.837  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1       -2.078  -1.366   0.669  0.00  0.00    +0.263 A 
ATOM      4  O   LIG    1       -3.094  -1.038   1.273  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -1.411  -0.514  -0.295  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -1.657   0.792  -0.802  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.659   1.046  -1.730  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        0.167  -0.050  -1.791  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -0.282  -1.002  -0.918  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        0.322  -2.199  -0.733  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -0.295  -2.946   0.136  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.692   1.760  -0.478  0.00  0.00    -0.014 A 
ATOM     13  C   LIG    1       -2.974   2.077   0.856  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -3.962   3.015   1.163  0.00  0.00    +0.083 A 
ATOM     15 CL   LIG    1       -4.269   3.378   2.823  0.00  0.00    -0.080 Cl
ATOM     16  C   LIG    1       -4.674   3.643   0.137  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1       -4.402   3.336  -1.195  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -3.412   2.397  -1.500  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  O   LIG    1       -5.640   4.564   0.437  0.00  0.00    -0.505 OA
ATOM     20  H   LIG    1       -6.046   4.885  -0.384  0.00  0.00    +0.292 HD
ENDBRANCH  16  19
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  C   LIG    1        1.315  -0.194  -2.666  0.00  0.00    +0.219 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.613   0.161  -1.967  0.00  0.00    +0.237 C 
ATOM     23  N   LIG    1        3.002  -0.758  -1.006  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1        2.343  -1.515  -0.804  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        3.237   1.169  -2.292  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.171  -0.734  -0.204  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        4.368  -1.750   0.743  0.00  0.00    +0.080 A 
ATOM     28 CL   LIG    1        3.241  -3.036   0.964  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        5.516  -1.721   1.525  0.00  0.00    +0.132 A 
ATOM     30  N   LIG    1        6.469  -0.768   1.433  0.00  0.00    -0.262 NA
ATOM     31  C   LIG    1        6.261   0.199   0.516  0.00  0.00    +0.112 A 
ATOM     32  C   LIG    1        5.148   0.257  -0.312  0.00  0.00    +0.044 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5