REMARK  Name = BDB051317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.740  -0.641  -1.329  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.871  -0.847  -0.455  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.897  -2.216  -0.160  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.867  -2.819   0.646  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -3.867  -2.006   1.170  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.883  -0.635   0.908  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -5.000   0.168   1.492  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -5.948  -0.353   2.067  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -4.923   1.533   1.362  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -5.627   2.036   1.889  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -3.683   2.178   1.015  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.003   1.470  -0.149  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -0.834  -2.804  -0.805  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -0.618  -3.791  -0.767  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -2.884  -0.017   0.107  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -0.140  -1.872  -1.516  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.259   0.632  -1.964  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.688   1.438  -1.072  0.00  0.00    +0.109 C 
BRANCH  18  21
ATOM     19  O   LIG    1        3.151   2.698  -0.395  0.00  0.00    -0.269 OA
ATOM     20  C   LIG    1        3.081   1.475  -0.448  0.00  0.00    +0.262 C 
ATOM     21  N   LIG    1        1.964   0.784  -0.870  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        1.985  -0.216  -0.680  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        4.225   0.601  -0.030  0.00  0.00    +0.125 A 
ATOM     24  N   LIG    1        4.000  -0.745  -0.064  0.00  0.00    -0.250 NA
ATOM     25  C   LIG    1        5.030  -1.531   0.319  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        6.262  -1.046   0.733  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.460   0.332   0.758  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.424   1.177   0.371  0.00  0.00    +0.033 A 
ENDBRANCH  20  23
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4