REMARK  Name = BDB054739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.299  -0.418  -0.006  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1       -1.409   0.636  -0.335  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -1.463   1.715  -1.264  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.308   2.448  -1.134  0.00  0.00    +0.087 A 
ATOM      5  N   LIG    1        0.465   1.850  -0.171  0.00  0.00    -0.341 N 
ATOM      6  C   LIG    1       -0.194   0.751   0.350  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        0.185  -0.151   1.355  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -0.689  -1.192   1.664  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.905  -1.324   1.000  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -3.653  -0.598  -0.659  0.00  0.00    +0.079 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.818  -0.137   0.232  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.003   1.388   0.100  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1       -5.890   1.932  -0.543  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -4.104   2.115   0.807  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1       -3.396   1.593   1.236  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1       -5.961  -0.900  -0.178  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -8.198  -1.640   0.183  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -7.070  -0.774   0.709  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   5  19
ATOM     19  C   LIG    1        1.768   2.347   0.262  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.870   1.431  -0.129  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1        3.215   0.929  -1.368  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        2.671   1.056  -2.732  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.310   0.128  -1.208  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.586   0.185   0.133  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.760   0.956   0.816  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.729  -0.592   0.606  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.502  -1.380  -0.261  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.590  -2.114   0.220  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.918  -2.070   1.574  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.161  -1.293   2.447  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.074  -0.560   1.966  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 9