REMARK  Name = BDB048829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.592   0.350  -0.215  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -2.264   0.848  -0.502  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -1.297   0.006   0.181  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -2.071  -0.977   0.824  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -1.456  -1.981   1.553  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.060  -1.975   1.638  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.713  -0.980   1.007  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.086   0.019   0.259  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -3.515  -0.746   0.574  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -4.667  -1.476   1.113  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -4.882  -1.520   2.496  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.978  -2.208   3.019  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.867  -2.858   2.165  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.661  -2.822   0.787  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.564  -2.134   0.262  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1       -1.936   1.985  -1.306  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1       -0.776   2.742  -0.950  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1       -2.711   2.362  -2.484  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1       -4.844   0.983  -0.636  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -5.414   0.732  -1.686  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.206   1.901   0.291  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -6.740   3.519   1.146  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -6.441   2.567   0.004  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1        2.061  -1.120   1.191  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.927  -0.063   0.764  0.00  0.00    +0.244 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.385  -0.219  -0.704  0.00  0.00    +0.125 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.378  -1.251  -1.055  0.00  0.00    -0.299 NA
ATOM     28  C   LIG    1        4.089  -2.554  -0.463  0.00  0.00    +0.105 C 
BRANCH  27  29
ATOM     29  C   LIG    1        5.806  -0.892  -0.991  0.00  0.00    +0.056 C 
ATOM     30  C   LIG    1        6.362  -0.457   0.382  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1        6.530   1.053   0.497  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        7.491   1.600  -0.562  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        7.523   0.771  -1.847  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1        6.176   0.106  -2.116  0.00  0.00    +0.019 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 10