REMARK  Name = BDB047060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.143   3.579   0.241  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.412   2.480  -0.423  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.155   1.192  -0.293  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.196  -0.092  -0.812  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -0.747  -0.997  -0.332  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1       -1.699  -0.298   0.419  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1       -2.888  -0.814   1.001  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1       -3.325  -0.270   2.015  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -0.749  -2.483  -0.497  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -1.288   1.036   0.505  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -1.858   2.138   1.172  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.269   3.402   1.034  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -3.677  -1.945   0.461  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -4.193  -2.900   1.344  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.966  -3.955   0.854  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -5.234  -4.040  -0.512  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -6.185  -5.340  -1.116  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -4.744  -3.075  -1.393  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -3.970  -2.018  -0.907  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1        0.032   5.899   0.730  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        0.512   4.762   0.025  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1        1.362  -0.395  -1.710  0.00  0.00    +0.072 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.627  -0.271  -0.888  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        3.595   0.684  -1.236  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.779   0.803  -0.503  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        5.020  -0.038   0.588  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        4.069  -1.002   0.937  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        2.885  -1.120   0.201  0.00  0.00    +0.005 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.289   0.124   1.336  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        7.167   0.930   1.087  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.405  -0.735   2.365  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        7.272  -0.507   2.760  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6