REMARK  Name = BDB018134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.704   1.512  -1.405  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.459   0.162  -2.094  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1       -0.056   0.044  -2.002  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -0.580  -1.357  -2.273  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -0.342   0.652  -0.620  0.00  0.00    +0.192 C 
ATOM      6  O   LIG    1        0.650   1.696  -0.432  0.00  0.00    -0.344 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.767   1.613  -0.074  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        6.542   1.489  -0.925  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        5.224   1.589  -0.453  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.598   1.819   0.802  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        3.235   1.810   0.599  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        3.003   1.579  -0.736  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1        4.207   1.437  -1.388  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1        4.356   1.183  -2.702  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        5.655   1.111  -3.046  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1        6.733   1.241  -2.250  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  O   LIG    1        1.875   0.125  -3.463  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1        2.824   0.383  -3.464  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  O   LIG    1       -0.625   0.906  -3.012  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -0.117   0.714  -3.829  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   5  21
ATOM     21  C   LIG    1       -0.230  -0.299   0.581  0.00  0.00    +0.263 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.278  -1.264   0.621  0.00  0.00    -0.489 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.457  -0.932   1.227  0.00  0.00    +0.123 A 
ATOM     24  C   LIG    1       -3.382  -1.979   1.306  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -4.633  -1.822   1.887  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -4.968  -0.555   2.403  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.229  -0.400   2.987  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -7.099  -1.483   3.037  0.00  0.00    +0.044 A 
ATOM     29  C   LIG    1       -6.687  -2.689   2.498  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1       -4.050   0.504   2.327  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -5.480  -2.868   1.937  0.00  0.00    -0.232 NA
ATOM     32  C   LIG    1       -2.798   0.316   1.739  0.00  0.00    +0.046 A 
BRANCH  29  33
ATOM     33  N   LIG    1       -7.522  -3.804   2.543  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1       -7.031  -4.553   2.061  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -8.421  -3.612   2.118  0.00  0.00    +0.144 HD
ENDBRANCH  29  33
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7