REMARK  Name = BDB051599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.875  -0.157  -0.428  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -1.713   0.430   0.465  0.00  0.00    -0.165 NA
ATOM      3  C   LIG    1       -2.958   0.046   0.139  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1       -2.876  -0.857  -0.986  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -3.951  -1.496  -1.605  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -5.189  -1.183  -1.028  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -5.322  -0.296   0.082  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -4.218   0.348   0.705  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -1.553  -0.965  -1.319  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.296   0.601  -0.193  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        2.788  -0.265  -1.172  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.415  -0.523  -1.262  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        0.528   0.085  -0.365  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        1.032   0.951   0.617  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        2.405   1.204   0.702  0.00  0.00    +0.007 A 
BRANCH  10  16
ATOM     16  C   LIG    1        4.780   0.871  -0.108  0.00  0.00    +0.116 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.930  -0.067   0.424  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1        5.507  -0.337   0.283  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1        5.133  -0.666   1.174  0.00  0.00    +0.122 HD
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   8  20
ATOM     20  C   LIG    1       -4.382   1.274   1.837  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -3.705   2.281   1.982  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -5.361   0.954   2.741  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.378   1.522   3.580  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -5.742   0.021   2.804  0.00  0.00    +0.145 HD
ENDBRANCH   8  20
BRANCH   5  25
ATOM     25  O   LIG    1       -3.889  -2.351  -2.667  0.00  0.00    -0.506 OA
ATOM     26  H   LIG    1       -2.960  -2.427  -2.939  0.00  0.00    +0.292 HD
ENDBRANCH   5  25
TORSDOF 5