REMARK  Name = BDB018446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.919   0.490   0.191  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        0.084   0.276  -0.731  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.270   0.155  -0.038  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.071   0.346   1.292  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.244   0.524   1.423  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.371   0.133   0.793  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -2.319   0.669  -0.089  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.719   1.347  -1.185  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -4.050   1.565  -1.495  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.367   2.316  -2.700  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.080   1.105  -0.690  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -6.277   1.280  -0.900  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.669   0.343   0.512  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.898  -0.589   1.870  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -3.066  -1.914   3.842  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.841  -1.181   2.763  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        2.586  -0.111  -0.522  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        2.865  -0.619  -1.797  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1        4.193  -0.780  -2.224  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        5.255  -0.468  -1.373  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.998  -0.002  -0.086  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        3.672   0.168   0.332  0.00  0.00    +0.074 A 
BRANCH  18  23
ATOM     23  C   LIG    1        1.849  -1.113  -2.738  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        1.593  -0.563  -3.792  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        1.277  -2.254  -2.304  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        1.624  -2.602  -1.459  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
BRANCH  21  27
ATOM     27  O   LIG    1        5.938   0.326   0.851  0.00  0.00    -0.495 OA
ATOM     28  C   LIG    1        7.303   0.209   0.470  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH   3  17
TORSDOF 7