REMARK  Name = BDB031561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.583  -1.657   0.135  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.616  -0.906   1.454  0.00  0.00    +0.096 C 
ATOM      3  N   LIG    1       -1.751  -1.342   2.317  0.00  0.00    -0.288 NA
ATOM      4  C   LIG    1       -0.864  -1.234   3.500  0.00  0.00    +0.131 C 
ATOM      5  C   LIG    1        0.355  -1.422   2.562  0.00  0.00    +0.204 C 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.804  -0.322   2.387  0.00  0.00    +0.121 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.708  -0.354   1.180  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -3.769   0.721   0.281  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -4.620   0.632  -0.812  0.00  0.00    +0.072 A 
ATOM     10  N   LIG    1       -4.718   1.692  -1.753  0.00  0.00    -0.320 N 
ATOM     11  H   LIG    1       -4.162   2.528  -1.638  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -5.549   1.673  -2.872  0.00  0.00    +0.260 A 
ATOM     13  C   LIG    1       -6.343   0.472  -3.036  0.00  0.00    +0.086 A 
ATOM     14  C   LIG    1       -6.243  -0.549  -2.121  0.00  0.00    +0.167 A 
ATOM     15  O   LIG    1       -7.054  -1.586  -2.432  0.00  0.00    -0.461 OA
ATOM     16  C   LIG    1       -7.692  -1.219  -3.582  0.00  0.00    +0.196 A 
ATOM     17  C   LIG    1       -7.289   0.037  -3.993  0.00  0.00    +0.055 A 
ATOM     18  O   LIG    1       -5.590   2.619  -3.651  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1       -5.385  -0.537  -0.963  0.00  0.00    +0.130 A 
ATOM     20  N   LIG    1       -5.357  -1.589  -0.123  0.00  0.00    -0.249 NA
ATOM     21  C   LIG    1       -4.512  -1.472   0.927  0.00  0.00    +0.116 A 
ENDBRANCH   6   7
ENDBRANCH   3   6
BRANCH   5  22
ATOM     22  O   LIG    1        1.497  -0.593   2.883  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.544  -0.558   2.003  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        3.324   0.595   2.001  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1        4.399   0.791   1.201  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1        4.717  -0.239   0.366  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        4.010  -1.434   0.311  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        2.907  -1.594   1.150  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.906  -0.032  -0.521  0.00  0.00    +0.263 C 
ATOM     30  N   LIG    1        6.519   1.195  -0.356  0.00  0.00    -0.307 N 
ATOM     31  H   LIG    1        6.109   1.808   0.344  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1        6.273  -0.896  -1.309  0.00  0.00    -0.269 OA
BRANCH  30  33
ATOM     33  C   LIG    1        7.659   1.607  -1.101  0.00  0.00    +0.073 C 
ATOM     34  C   LIG    1        8.173   3.017  -0.999  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1        7.510   2.550  -2.262  0.00  0.00    +0.024 C 
ENDBRANCH  30  33
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6