REMARK  Name = BDB016134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.344   1.829   0.013  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -2.005   0.575  -0.184  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -1.322  -0.589   0.246  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.703  -0.351   1.021  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.115  -1.776   0.547  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -2.504  -2.434  -0.758  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -3.788  -1.859  -1.262  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.005  -0.521  -1.286  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.895  -0.320  -1.726  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.666  -2.599  -1.717  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -1.253  -2.729   1.381  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.233   0.590  -0.885  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.805   1.827  -1.253  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.167   3.039  -0.999  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -1.929   3.040  -0.381  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        1.086   1.880  -0.157  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -0.006   1.899   0.620  0.00  0.00    +0.010 C 
BRANCH  16  19
ATOM     18  C   LIG    1        3.117   0.507   0.387  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        2.429   1.743   0.418  0.00  0.00    -0.004 A 
ATOM     20  C   LIG    1        3.023   2.869   1.007  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        4.298   2.782   1.560  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.983   1.571   1.528  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.398   0.442   0.945  0.00  0.00    +0.024 A 
BRANCH  18  26
ATOM     24  C   LIG    1        2.020  -2.810  -1.091  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        2.971  -1.893  -0.358  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1        2.478  -0.613  -0.207  0.00  0.00    -0.285 N 
ATOM     27  H   LIG    1        1.540  -0.446  -0.556  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        4.058  -2.315   0.024  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH  16  19
ENDBRANCH   1  17
TORSDOF 3