REMARK  Name = BDB051318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.682   0.997  -0.949  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.837   0.128  -0.870  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.889  -0.579  -2.076  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.842  -1.563  -2.357  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -3.782  -1.851  -1.373  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.785  -1.155  -0.163  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -4.824  -1.520   0.847  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -5.560  -2.489   0.705  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -4.924  -0.719   1.958  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -5.726  -0.926   2.541  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -4.342   0.598   1.976  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -2.915   0.576   1.445  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -0.868  -0.121  -2.873  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -0.684  -0.448  -3.812  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -2.835  -0.135   0.112  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -0.143   0.827  -2.212  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.165   1.920   0.122  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.322   2.274   0.026  0.00  0.00    +0.109 C 
BRANCH  18  21
ATOM     19  O   LIG    1        4.081   2.339   0.541  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        3.543   1.253   0.351  0.00  0.00    +0.246 C 
ATOM     21  N   LIG    1        2.186   1.111   0.158  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        1.770   0.203  -0.004  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        4.362   0.018   0.347  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        3.999  -1.126  -0.351  0.00  0.00    +0.123 A 
ATOM     25  N   LIG    1        4.735  -2.266  -0.374  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.894  -2.255   0.321  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.353  -1.158   1.033  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.574  -0.003   1.041  0.00  0.00    +0.016 A 
ENDBRANCH  20  23
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4