REMARK  Name = BDB022859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.615  -4.426   2.373  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.576  -3.508   1.730  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.094  -2.540   0.744  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.202  -1.747   1.072  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.742  -1.825   2.176  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.012  -2.001  -0.088  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.104  -1.424   0.767  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.250  -1.822   2.090  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.300  -1.241   2.762  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.156  -0.372   2.195  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        2.944  -0.053   0.911  0.00  0.00    +0.215 A 
ATOM     12  N   LIG    1        1.952  -0.559   0.167  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.292  -2.768   2.766  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.745  -0.788  -0.011  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.946   0.038   0.537  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.244  -0.802   0.410  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.559  -1.325  -0.929  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.774  -0.722  -1.474  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.460  -1.230  -1.886  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.117  -1.606  -1.267  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.116   1.464  -0.004  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -3.402   1.981  -1.095  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.598   3.297  -1.527  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.504   4.125  -0.871  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.214   3.638   0.222  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.018   2.324   0.652  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        3.777   0.845   0.256  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        3.615   0.681  -0.731  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.163   0.809   0.690  0.00  0.00    +0.108 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.993   1.836  -0.099  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1        6.155   1.443  -1.576  0.00  0.00    +0.033 C 
ATOM     32  C   LIG    1        7.106   2.396  -2.290  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1        8.369   2.437  -1.628  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        8.258   2.925  -0.293  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1        7.380   2.002   0.541  0.00  0.00    +0.033 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5