REMARK  Name = BDB005990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.719   0.289   0.126  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1        0.741  -0.200  -1.327  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1       -0.679  -0.459  -1.831  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -1.505   0.743  -1.688  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1       -1.602   1.173  -0.291  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.215   1.493   0.268  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.432  -0.403   1.795  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        4.246   0.124   1.296  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        2.901  -0.455   1.104  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1        2.072   0.548   0.622  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1        2.801   1.766   0.331  0.00  0.00    +0.144 C 
ATOM     12  O   LIG    1        2.586  -1.611   1.313  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        4.173   1.447   0.825  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        5.276   2.285   0.835  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        6.475   1.781   1.327  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.550   0.459   1.798  0.00  0.00    +0.014 A 
BRANCH   7  20
ATOM     17  N   LIG    1        4.617  -2.615   2.540  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        3.680  -2.446   2.175  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        4.831  -3.562   2.819  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        5.664  -1.772   2.336  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        6.799  -2.150   2.615  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1       -2.818   0.633  -2.350  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.796  -0.381  -1.788  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -4.805  -0.053  -0.845  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.661  -1.053  -0.379  0.00  0.00    +0.047 A 
ATOM     26  N   LIG    1       -6.527  -0.470   0.520  0.00  0.00    -0.361 N 
ATOM     27  H   LIG    1       -7.255  -0.965   1.015  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1       -6.261   0.867   0.635  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1       -5.582  -2.382  -0.805  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -4.603  -2.699  -1.744  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -5.205   1.155  -0.199  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -3.734  -1.723  -2.228  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 4