REMARK  Name = BDB017812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.282   1.897   1.540  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.967   1.983   0.711  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.123   3.260   0.165  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.183   3.551  -0.673  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.109   2.538  -0.954  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.968   1.243  -0.409  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.006   4.153   0.572  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.875   0.971   0.430  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.569   3.394   1.784  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.915   0.175  -0.703  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        3.687  -1.152  -0.342  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.747  -1.787  -0.763  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        5.253  -3.172  -0.747  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.747  -2.958  -1.101  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        6.823  -1.605  -1.834  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        5.624  -0.945  -1.369  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        5.140   0.309  -1.347  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -2.524   0.898   1.407  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1       -1.336   1.236   0.799  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1       -1.067   0.762  -0.053  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -2.797   1.193   2.565  0.00  0.00    -0.270 OA
BRANCH  18  27
ATOM     22  C   LIG    1       -5.334  -1.473   0.541  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.338  -1.416  -0.865  0.00  0.00    -0.009 A 
ATOM     24  C   LIG    1       -6.324  -2.225  -1.663  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -4.424  -0.584  -1.528  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.503   0.177  -0.807  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.485   0.106   0.589  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -4.408  -0.710   1.259  0.00  0.00    +0.059 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -6.328  -2.350   2.525  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.269  -2.302   1.104  0.00  0.00    -0.495 OA
ENDBRANCH  22  30
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 4