REMARK  Name = BDB018761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.507   0.076  -1.430  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.363   0.756  -0.983  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.884   0.120  -0.963  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.134   0.864  -0.575  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -3.187  -0.069   0.035  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.514   0.671   0.264  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -5.022   0.232   1.601  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -4.133  -0.839   2.105  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -3.375  -1.285  -0.875  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -2.235  -1.828  -1.412  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -2.355  -2.710  -1.896  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -4.456  -1.842  -1.051  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -2.796  -0.542   1.444  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -0.988  -1.200  -1.406  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.133  -1.884  -1.872  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        1.376  -1.248  -1.877  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        3.702   0.693  -0.326  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        2.819   0.742  -1.434  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        3.202   1.454  -2.587  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        4.431   2.108  -2.651  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.294   2.058  -1.563  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.933   1.356  -0.410  0.00  0.00    +0.024 A 
BRANCH  17  25
ATOM     23  C   LIG    1        3.230  -1.037   3.003  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        3.995  -0.193   2.014  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        3.305  -0.030   0.828  0.00  0.00    -0.285 N 
ATOM     26  H   LIG    1        2.397  -0.475   0.773  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        5.086   0.282   2.309  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  18
BRANCH   7  28
ATOM     28  C   LIG    1       -6.295   0.383   1.991  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -7.392   0.519   2.333  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 3