REMARK  Name = BDB014839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.359   0.352  -0.377  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.640   0.911  -1.173  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.040   1.323  -1.830  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.535   1.393  -1.863  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.836   0.523  -1.035  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.366   0.558  -1.167  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.713  -0.126  -0.020  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.345  -0.234   0.348  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.220  -0.971   1.458  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.473  -1.308   1.807  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.680  -2.095   2.997  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.402  -0.842   0.935  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.872  -1.012   0.968  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.437  -0.689  -0.432  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.968   2.204  -2.596  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.046   0.361  -0.220  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.818   1.102  -1.130  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.214   1.151  -1.032  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.883   0.456  -0.019  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.119  -0.281   0.893  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.723  -0.327   0.790  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.344   0.506   0.090  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        6.191  -0.421  -0.538  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.643  -1.545  -1.373  0.00  0.00    +0.066 C 
ATOM     25  N   LIG    1        7.547  -0.371  -0.437  0.00  0.00    -0.260 NA
ATOM     26  C   LIG    1        8.083   0.620   0.304  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        7.335   1.579   0.961  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.950   1.517   0.849  0.00  0.00    +0.012 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3