REMARK  Name = BDB004403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK    1        1.417   0.558  -0.079  0.00  0.00    +0.168 A 
ATOM      2  C   UNK    1        1.605  -0.501  -0.970  0.00  0.00    +0.155 A 
ATOM      3  C   UNK    1        0.559  -0.863  -1.851  0.00  0.00    +0.028 A 
ATOM      4  C   UNK    1       -0.676  -0.172  -1.762  0.00  0.00    +0.007 A 
ATOM      5  C   UNK    1       -1.728  -0.554  -2.631  0.00  0.00    +0.010 A 
ATOM      6  C   UNK    1       -1.573  -1.570  -3.573  0.00  0.00    +0.001 A 
ATOM      7  C   UNK    1       -0.359  -2.226  -3.680  0.00  0.00    +0.001 A 
ATOM      8  C   UNK    1       -0.780   0.870  -0.811  0.00  0.00    +0.054 A 
ATOM      9  C   UNK    1        0.694  -1.875  -2.834  0.00  0.00    +0.012 A 
ATOM     10  N   UNK    1        0.245   1.234   0.003  0.00  0.00    -0.242 NA
ENDROOT
BRANCH   1  13
ATOM     11  N   UNK    1        3.716   0.450   0.838  0.00  0.00    -0.299 N 
ATOM     12  H   UNK    1        3.897  -0.273   0.141  0.00  0.00    +0.150 HD
ATOM     13  C   UNK    1        2.474   1.046   0.890  0.00  0.00    +0.266 C 
ATOM     14  O   UNK    1        2.245   1.944   1.698  0.00  0.00    -0.268 OA
BRANCH  11  15
ATOM     15  C   UNK    1        4.796   0.867   1.703  0.00  0.00    +0.225 C 
BRANCH  15  17
ATOM     16  O   UNK    1        6.071  -0.988   0.773  0.00  0.00    -0.249 OA
ATOM     17  C   UNK    1        5.998  -0.057   1.564  0.00  0.00    +0.322 C 
BRANCH  17  18
ATOM     18  O   UNK    1        7.010   0.256   2.408  0.00  0.00    -0.480 OA
ATOM     19  H   UNK    1        6.820   1.021   2.987  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   2  20
ATOM     20  O   UNK    1        2.794  -1.191  -0.981  0.00  0.00    -0.504 OA
ATOM     21  H   UNK    1        2.612  -2.122  -1.199  0.00  0.00    +0.292 HD
ENDBRANCH   2  20
BRANCH   8  22
ATOM     22  C   UNK    1       -2.051   1.676  -0.606  0.00  0.00    +0.091 C 
BRANCH  22  23
ATOM     23  C   UNK    1       -3.130   0.963   0.180  0.00  0.00    -0.042 A 
ATOM     24  C   UNK    1       -4.428   0.842  -0.337  0.00  0.00    +0.004 A 
ATOM     25  C   UNK    1       -5.427   0.197   0.395  0.00  0.00    +0.000 A 
ATOM     26  C   UNK    1       -5.143  -0.324   1.656  0.00  0.00    +0.000 A 
ATOM     27  C   UNK    1       -3.863  -0.194   2.189  0.00  0.00    +0.000 A 
ATOM     28  C   UNK    1       -2.863   0.450   1.459  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 7