REMARK  Name = BDB047147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.102  -0.033  -0.092  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1        0.248   1.278   0.305  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.773   2.176   0.631  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.114   1.786   0.554  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.475   0.491   0.144  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1       -1.444  -0.410  -0.179  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.889   0.087   0.061  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.347  -1.126   0.586  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -5.702  -1.485   0.498  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.587  -0.587  -0.133  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -7.927  -0.937  -0.219  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -8.407  -2.145   0.298  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.531  -3.028   0.918  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -6.173   0.584  -0.646  0.00  0.00    -0.254 NA
ATOM     15  C   LIG    1       -6.180  -2.701   1.019  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.855   0.887  -0.545  0.00  0.00    +0.120 A 
ENDBRANCH   5   7
BRANCH   2  17
ATOM     17  N   LIG    1        1.621   1.623   0.364  0.00  0.00    -0.326 N 
ATOM     18  C   LIG    1        2.106   1.900   1.740  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1        2.543   3.370   1.925  0.00  0.00    +0.103 C 
ATOM     20  N   LIG    1        3.596   3.800   0.978  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        3.661   5.256   0.906  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1        3.414   3.187  -0.356  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1        1.992   2.652  -0.636  0.00  0.00    +0.120 C 
ENDBRANCH   2  17
BRANCH   1  25
ATOM     24  C   LIG    1        0.961  -2.225  -0.706  0.00  0.00    +0.248 C 
ATOM     25  N   LIG    1        0.982  -0.886  -0.386  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1        1.873  -0.417  -0.243  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1       -0.029  -2.948  -0.745  0.00  0.00    -0.270 OA
BRANCH  24  31
ATOM     28  C   LIG    1        5.694  -1.895  -2.441  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        4.589  -2.680  -1.797  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        3.342  -2.085  -1.558  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        2.298  -2.826  -0.984  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1        2.495  -4.179  -0.685  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1        3.729  -4.780  -0.934  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        4.770  -4.034  -1.488  0.00  0.00    +0.003 A 
ENDBRANCH  24  31
ENDBRANCH   1  25
TORSDOF 4