REMARK  Name = BDB047552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.840  -1.286   0.348  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.633  -0.424   0.077  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1        1.544  -1.212  -0.312  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.304  -0.650  -0.587  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.154   0.732  -0.462  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.241   1.517  -0.039  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.893  -2.668  -0.293  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1        2.482   0.943   0.248  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        3.425  -2.616  -0.327  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        5.203  -0.718  -0.103  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1        7.698  -0.799   0.459  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1        6.347  -1.496   0.587  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1        5.381  -0.746  -1.620  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1        6.072  -1.555  -2.222  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.702   0.221  -2.274  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        4.128   0.770  -1.709  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1       -0.992   1.440  -0.701  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.149   0.695  -1.091  0.00  0.00    +0.234 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.317   1.667  -1.275  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.847   2.182   0.024  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -3.497   3.351   0.668  0.00  0.00    +0.138 A 
ATOM     22  C   LIG    1       -2.567   4.455   0.363  0.00  0.00    +0.089 C 
ATOM     23  O   LIG    1       -4.162   3.437   1.847  0.00  0.00    -0.359 OA
ATOM     24  N   LIG    1       -4.958   2.325   2.011  0.00  0.00    -0.078 NA
ATOM     25  C   LIG    1       -4.782   1.570   0.916  0.00  0.00    +0.117 A 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.476   0.297   0.773  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.289   0.046  -0.339  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -6.939  -1.183  -0.473  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.784  -2.166   0.505  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.985  -1.919   1.621  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.335  -0.691   1.756  0.00  0.00    +0.010 A 
ENDBRANCH  25  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9