REMARK  Name = BDB047504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.547  -0.391  -0.252  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -2.182   0.248  -0.300  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.181  -0.720  -0.156  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.166  -0.387  -0.211  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.514   0.951  -0.407  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.493   1.919  -0.561  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.772  -2.088  -0.004  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -1.846   1.574  -0.518  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.212  -1.749   0.407  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -4.672   0.417   0.422  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.606  -0.719  -0.813  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.007  -0.342   0.534  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -4.285   0.899   1.806  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -4.196   0.228   2.821  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.055   2.227   1.849  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -3.796   2.390   2.780  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        1.789   1.446  -0.479  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.856   0.513  -0.302  0.00  0.00    +0.234 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.174   1.282  -0.395  0.00  0.00    +0.081 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.361   0.401  -0.231  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        6.011   0.052   0.934  0.00  0.00    +0.138 A 
ATOM     22  C   LIG    1        5.823   0.381   2.359  0.00  0.00    +0.089 C 
ATOM     23  O   LIG    1        7.049  -0.774   0.644  0.00  0.00    -0.359 OA
ATOM     24  N   LIG    1        7.103  -0.990  -0.718  0.00  0.00    -0.083 NA
ATOM     25  C   LIG    1        6.095  -0.282  -1.240  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1        5.867  -0.284  -2.704  0.00  0.00    +0.069 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 8