REMARK  Name = BDB032071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.188  -3.551   1.561  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -1.540  -2.609   0.676  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1       -2.152  -1.361   0.497  0.00  0.00    +0.263 A 
ATOM      4  O   LIG    1       -3.201  -1.041   1.048  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -1.421  -0.495  -0.406  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -1.615   0.829  -0.889  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.545   1.099  -1.731  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        0.272  -0.003  -1.762  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -0.250  -0.976  -0.955  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        0.332  -2.182  -0.756  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -0.349  -2.944   0.048  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.675   1.794  -0.643  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -4.019   1.414  -0.734  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.035   2.346  -0.510  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.708   3.659  -0.195  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -3.380   4.059  -0.100  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.364   3.125  -0.325  0.00  0.00    +0.012 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -5.731   4.537   0.015  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -5.353   5.400   0.248  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   8  20
ATOM     20  C   LIG    1        1.480  -0.135  -2.554  0.00  0.00    +0.219 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.724   0.184  -1.748  0.00  0.00    +0.237 C 
ATOM     22  N   LIG    1        3.041  -0.778  -0.804  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        2.363  -1.534  -0.677  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.369   1.204  -1.980  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.152  -0.797   0.078  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.274  -1.849   0.997  0.00  0.00    +0.080 A 
ATOM     27 CL   LIG    1        3.124  -3.131   1.092  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        5.365  -1.862   1.857  0.00  0.00    +0.132 A 
ATOM     29  N   LIG    1        6.330  -0.916   1.868  0.00  0.00    -0.262 NA
ATOM     30  C   LIG    1        6.195   0.086   0.974  0.00  0.00    +0.112 A 
ATOM     31  C   LIG    1        5.143   0.186   0.074  0.00  0.00    +0.044 A 
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5