REMARK  Name = BDB036801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.789  -0.174   0.266  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -1.347   0.071   1.148  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -1.067  -0.907  -0.650  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -1.596  -1.544  -1.554  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.412  -0.931  -0.469  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.098   0.096   0.194  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        2.489   0.032   0.332  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        3.265   1.092   1.070  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1        4.554   1.446   0.326  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1        5.335   0.243  -0.224  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1        4.686  -1.119   0.032  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        3.198  -1.065  -0.188  0.00  0.00    -0.044 A 
ATOM     13  C   LIG    1        2.513  -2.087  -0.850  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.127  -2.013  -0.999  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -6.914   1.613   0.749  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.855   1.011   0.596  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -5.062   0.698   1.671  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.375   1.077   2.554  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.738   0.338   1.618  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -3.009   0.447   2.603  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -3.245  -0.216   0.277  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.856   0.606  -0.853  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.372   0.549  -0.759  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2