REMARK  Name = BDB020970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.085  -2.480  -0.030  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        0.628  -1.569   1.071  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -0.495  -0.879   1.849  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -0.750   0.406   1.044  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.448   0.669   0.271  0.00  0.00    -0.345 OA
ATOM      6  C   LIG    1        1.427  -0.342   0.599  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.900   0.340   0.148  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -3.199   0.213   0.583  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -4.031   0.208  -0.527  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -5.405   0.078  -0.284  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -5.835  -0.027   0.989  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -4.918  -0.009   1.975  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -3.196   0.344  -1.669  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -3.583   0.105   1.866  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -1.894   0.436  -1.225  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -6.367   0.067  -1.285  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -7.284   0.253  -0.896  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -6.118   0.589  -2.113  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1       -0.010  -0.538   3.168  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        0.686  -1.192   3.381  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1        1.416  -2.370   1.970  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1        0.935  -3.205   2.127  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1        2.417  -0.591  -0.562  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.400   0.552  -0.757  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1        4.762   0.371  -0.468  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.678   1.416  -0.642  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        7.334   1.102  -0.263  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        5.238   2.658  -1.110  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        6.309   3.992  -1.351  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        3.885   2.849  -1.400  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        2.974   1.804  -1.226  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        1.734  -0.843  -1.794  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1        2.294  -0.515  -2.518  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   6  23
TORSDOF 7