REMARK  Name = BDB018090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.739  -1.023   0.716  0.00  0.00    +0.008 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -3.710  -2.394  -0.297  0.00  0.00    +0.007 C 
ATOM      3  C   LIG    1       -2.685  -2.258   0.834  0.00  0.00    -0.013 C 
ATOM      4  C   LIG    1       -1.868  -3.556   0.914  0.00  0.00    +0.007 C 
ENDBRANCH   1   3
BRANCH   1   5
ATOM      5  C   LIG    1       -2.327   0.239   1.396  0.00  0.00    +0.078 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.526   0.876   0.728  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.270   1.730  -0.310  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -2.313   1.918  -0.611  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1       -4.254   2.378  -1.013  0.00  0.00    +0.259 A 
ATOM     10  O   LIG    1       -4.015   3.136  -1.945  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.632   2.101  -0.573  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -5.801   1.221   0.499  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -7.098   0.941   0.934  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -8.201   1.531   0.309  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -8.016   2.409  -0.760  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.728   2.698  -1.206  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -4.719   0.606   1.150  0.00  0.00    -0.234 NA
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.238  -0.783  -0.720  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.188   0.312  -0.788  0.00  0.00    +0.216 C 
ATOM     20  N   LIG    1        1.153  -0.020  -0.638  0.00  0.00    -0.301 N 
ATOM     21  C   LIG    1        2.111   1.084  -0.631  0.00  0.00    +0.108 C 
ATOM     22  C   LIG    1        3.475   0.674  -1.174  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.004  -0.569  -0.457  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        2.975  -1.700  -0.575  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        1.618  -1.269  -0.032  0.00  0.00    +0.108 C 
ATOM     26  O   LIG    1       -0.570   1.476  -0.949  0.00  0.00    -0.276 OA
BRANCH  23  27
ATOM     27  C   LIG    1        5.349  -0.988  -1.049  0.00  0.00    +0.169 C 
ATOM     28  O   LIG    1        5.418  -1.881  -1.893  0.00  0.00    -0.292 OA
BRANCH  27  29
ATOM     29  C   LIG    1        6.559  -0.308  -0.606  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        6.702   0.702   0.328  0.00  0.00    +0.119 A 
ATOM     31  N   LIG    1        8.037   0.992   0.379  0.00  0.00    -0.274 N 
ATOM     32  C   LIG    1        8.683   1.983   1.205  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        8.777   0.241  -0.451  0.00  0.00    -0.179 NA
ATOM     34  C   LIG    1        7.880  -0.547  -1.050  0.00  0.00    +0.145 A 
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7