REMARK  Name = BDB058016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.310   1.480   1.190  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.474   1.294   0.557  0.00  0.00    +0.176 C 
ATOM      3  C   LIG    1       -2.614   2.241   0.637  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1       -2.713   3.275   1.261  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1       -3.614   1.619  -0.223  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -3.064   0.439  -0.727  0.00  0.00    +0.152 A 
ATOM      7  C   LIG    1       -3.792  -0.370  -1.580  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.097   0.048  -1.907  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -5.639   1.242  -1.389  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.890   2.048  -0.532  0.00  0.00    +0.015 A 
ATOM     11  O   LIG    1       -1.782   0.222  -0.272  0.00  0.00    -0.451 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        2.115   1.036   0.755  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1        0.835   0.560   1.104  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.665  -0.798   1.412  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.746  -1.680   1.349  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        3.018  -1.221   0.988  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        3.192   0.142   0.695  0.00  0.00    +0.058 A 
BRANCH  16  18
ATOM     18  C   LIG    1        4.149  -2.139   0.920  0.00  0.00    +0.204 A 
ATOM     19  N   LIG    1        4.082  -3.460   1.169  0.00  0.00    -0.133 NA
ATOM     20  N   LIG    1        5.362  -3.804   0.968  0.00  0.00    -0.176 N 
ATOM     21  H   LIG    1        5.690  -4.761   1.074  0.00  0.00    +0.214 HD
ATOM     22  N   LIG    1        6.190  -2.815   0.617  0.00  0.00    -0.049 NA
ATOM     23  N   LIG    1        5.421  -1.736   0.582  0.00  0.00    -0.108 NA
ENDBRANCH  16  18
BRANCH  12  25
ATOM     24  C   LIG    1        3.487   2.904   0.163  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        2.205   2.378   0.482  0.00  0.00    -0.494 OA
ENDBRANCH  12  25
ENDBRANCH   1  13
BRANCH   7  26
ATOM     26  C   LIG    1       -3.284  -1.640  -2.163  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1       -4.000  -2.349  -2.860  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -1.992  -1.998  -1.911  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -1.646  -2.844  -2.344  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -1.342  -1.424  -1.389  0.00  0.00    +0.145 HD
ENDBRANCH   7  26
TORSDOF 4