REMARK  Name = BDB045307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.576   3.693   0.707  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.438   2.596   0.774  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.125   1.257   0.576  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.056   0.294   0.679  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.323   0.668   0.939  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -2.723   1.935   1.132  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -1.764   2.871   1.046  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.324  -0.404   1.080  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.574  -0.415   0.406  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.480  -1.466   0.668  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.158  -2.507   1.539  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.924  -2.519   2.172  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.022  -1.480   1.945  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.970   0.672  -0.593  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.006   1.619   0.017  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.479   0.100  -1.922  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.210   0.897   0.315  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.569   1.454  -0.454  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.418  -0.526   0.070  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.882  -0.753  -0.240  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.300  -1.061  -1.541  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.656  -1.256  -1.822  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.614  -1.142  -0.804  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        5.203  -0.828   0.497  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        3.845  -0.634   0.772  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  N   LIG    1        6.985  -1.343  -1.110  0.00  0.00    -0.220 N 
ATOM     27  N   LIG    1        7.405  -1.639  -2.366  0.00  0.00    -0.061 NA
ATOM     28  N   LIG    1        8.724  -1.769  -2.353  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1        9.153  -1.556  -1.081  0.00  0.00    +0.156 A 
ATOM     30  C   LIG    1        8.077  -1.284  -0.273  0.00  0.00    +0.136 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6