REMARK  Name = BDB057978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.643  -2.109   0.427  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        1.216  -1.167  -0.442  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1        0.441  -0.102  -0.934  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -0.912   0.072  -0.573  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1       -1.717   1.262  -1.143  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1       -3.131   1.239  -0.615  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -3.674   0.315   0.253  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.900  -0.792   0.776  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1       -3.362  -1.621   1.552  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -5.032   0.680   0.481  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -5.277   1.832  -0.268  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -6.523   2.475  -0.282  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -7.552   1.921   0.494  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -7.333   0.769   1.252  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -6.081   0.141   1.254  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.109   2.150  -0.925  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1       -4.000   2.944  -1.543  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -1.759   1.165  -2.684  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -1.049   2.588  -0.720  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -1.477  -0.873   0.314  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -0.703  -1.942   0.799  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2  22
ATOM     22  C   LIG    1        2.593  -1.250  -0.875  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        3.675  -0.879  -0.112  0.00  0.00    +0.127 A 
ATOM     24  N   LIG    1        4.812  -1.087  -0.880  0.00  0.00    -0.191 N 
ATOM     25  C   LIG    1        6.181  -0.895  -0.538  0.00  0.00    +0.337 C 
ATOM     26  N   LIG    1        6.383  -0.110   0.609  0.00  0.00    -0.288 N 
ATOM     27  C   LIG    1        5.888   1.263   0.619  0.00  0.00    +0.133 C 
ATOM     28  C   LIG    1        7.672  -0.287   1.253  0.00  0.00    +0.133 C 
ATOM     29  O   LIG    1        7.065  -1.462  -1.171  0.00  0.00    -0.248 OA
ATOM     30  N   LIG    1        4.479  -1.597  -2.105  0.00  0.00    -0.171 NA
ATOM     31  C   LIG    1        3.148  -1.677  -2.092  0.00  0.00    +0.143 A 
ENDBRANCH   2  22
BRANCH   1  33
ATOM     32  C   LIG    1        1.895  -3.038   2.405  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        1.398  -3.293   0.990  0.00  0.00    +0.032 C 
ENDBRANCH   1  33
BRANCH  13  34
ATOM     34  C   LIG    1       -8.842   2.549   0.507  0.00  0.00    +0.099 C 
ATOM     35  N   LIG    1       -9.882   3.064   0.512  0.00  0.00    -0.191 NA
ENDBRANCH  13  34
TORSDOF 3