REMARK  Name = BDB053954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.615  -0.289   0.642  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.705  -0.681   0.357  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.753   0.261   0.444  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.424   1.573   0.794  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.587   2.304   0.792  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.642   3.291   1.001  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.661   1.517   0.465  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -5.022   1.838   0.341  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.727   3.159   0.491  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -7.184   2.703   0.649  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -7.323   1.384  -0.128  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.938   0.837  -0.015  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -5.481  -0.434  -0.240  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -6.187  -1.653  -0.626  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -7.381  -1.754  -0.823  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -5.244  -2.627  -0.708  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -5.445  -3.587  -0.935  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -3.998  -2.175  -0.392  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -2.985  -2.842  -0.339  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -4.131  -0.749  -0.107  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.115   1.986   1.069  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.172   0.216   0.244  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        0.902   1.032   0.986  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        1.624  -2.158  -0.355  0.00  0.00    -0.292 OA
ATOM     25  C   LIG    1        1.687  -1.313   0.536  0.00  0.00    +0.164 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.783  -1.345   1.588  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.137  -1.661   0.960  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.751  -0.445   0.287  0.00  0.00    +0.216 C 
ATOM     29  N   LIG    1        5.941  -0.653  -0.374  0.00  0.00    -0.301 N 
ATOM     30  C   LIG    1        6.644   0.436  -1.027  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1        8.021  -0.134  -1.332  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1        7.732  -1.611  -1.565  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1        6.646  -1.915  -0.541  0.00  0.00    +0.108 C 
ATOM     34  O   LIG    1        4.233   0.669   0.359  0.00  0.00    -0.276 OA
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 4