REMARK  Name = BDB004368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.566  -1.453  -4.034  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.916  -1.179  -3.032  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.494  -0.375  -1.946  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.704  -0.100  -0.841  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -5.192   0.651   0.220  0.00  0.00    +0.138 A 
ATOM      6  O   LIG    1       -4.455   0.949   1.337  0.00  0.00    -0.455 OA
ATOM      7  C   LIG    1       -3.163   0.480   1.401  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -2.556  -0.281   0.401  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -1.233  -0.713   0.550  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -0.505  -0.383   1.704  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -1.128   0.376   2.707  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -2.448   0.807   2.554  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -6.500   1.137   0.168  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -7.306   0.867  -0.943  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.338  -0.617  -0.804  0.00  0.00    +0.106 A 
ATOM     16  N   LIG    1       -2.829  -1.330  -1.764  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1       -6.804   0.109  -2.004  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -3.617  -1.597  -2.848  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1       -3.194  -2.151  -3.585  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1        0.923  -0.864   1.875  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.802  -0.472   0.766  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        3.014  -1.304   0.749  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1        4.121  -0.686  -0.103  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        4.598   0.653   0.487  0.00  0.00    -0.006 C 
ATOM     25  C   LIG    1        3.459   1.346   1.262  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        2.080   0.970   0.719  0.00  0.00    +0.085 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.193   1.595  -0.583  0.00  0.00    +0.031 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.483   1.082  -1.221  0.00  0.00    +0.156 C 
BRANCH  28  29
ATOM     29  O   LIG    1        6.217  -0.002  -2.096  0.00  0.00    -0.395 OA
ATOM     30  H   LIG    1        7.063  -0.258  -2.502  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 5