REMARK  Name = BDB001338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.857  -0.308   0.000  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1        5.990   0.910   2.391  0.00  0.00    +0.065 C 
ATOM      3  C   LIG    1        5.016   0.984   1.253  0.00  0.00    +0.039 A 
ATOM      4  N   LIG    1        3.755   0.547   1.486  0.00  0.00    -0.248 NA
ATOM      5  C   LIG    1        2.861   0.604   0.474  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        3.185   1.097  -0.802  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.209   1.133  -1.810  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        0.913   0.680  -1.554  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.564   0.174  -0.290  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        4.495   1.541  -1.015  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.557   0.159   0.698  0.00  0.00    +0.148 A 
ATOM     12  C   LIG    1        5.421   1.485   0.022  0.00  0.00    +0.023 A 
BRANCH  11  13
ATOM     13  O   LIG    1        1.256  -0.307   1.960  0.00  0.00    -0.504 OA
ATOM     14  H   LIG    1        2.103  -0.221   2.450  0.00  0.00    +0.292 HD
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   1  15
ATOM     15  C   LIG    1       -1.816   0.880   0.097  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -1.873   1.620   1.292  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -2.720   2.722   1.413  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.522   3.106   0.340  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.475   2.390  -0.854  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.626   1.288  -0.977  0.00  0.00    +0.006 A 
ENDBRANCH   1  15
BRANCH   1  21
ATOM     21  N   LIG    1       -1.248  -1.278  -1.045  0.00  0.00    -0.333 N 
ATOM     22  H   LIG    1       -0.424  -1.720  -1.444  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.224  -2.254  -0.793  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -3.214  -2.146   0.189  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.203  -3.127   0.334  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.235  -4.223  -0.523  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.287  -4.329  -1.534  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -2.302  -3.346  -1.673  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5