REMARK  Name = BDB015988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.207   2.035  -0.585  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.236   1.102  -0.554  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.038   1.502  -0.362  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.364   2.852  -0.233  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.293   3.727  -0.281  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.991   3.353  -0.443  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.206  -0.253  -1.170  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.891   0.210  -0.994  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.596   1.572  -0.775  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.682   2.466  -0.741  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.996   2.023  -0.911  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.256   0.670  -1.122  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        3.800  -4.992  -2.596  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.281  -3.754  -2.034  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.491  -3.720  -1.449  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.613  -2.447  -1.062  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.482  -1.662  -1.390  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.637  -2.551  -2.023  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.719   3.347  -0.078  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.098   4.376   0.761  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.448   4.516   0.607  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.307   5.460   1.280  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.978   3.654  -0.277  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.926   2.945  -0.696  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.043   0.521  -0.325  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -2.680   0.685   0.453  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.633  -0.875  -0.421  0.00  0.00    +0.076 C 
ATOM     28  C   LIG    1       -0.875  -1.455   0.792  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1       -1.312  -2.939   0.870  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -1.929  -3.094   2.260  0.00  0.00    +0.084 C 
ATOM     31  N   LIG    1       -2.317  -1.738   2.643  0.00  0.00    -0.315 NA
ATOM     32  H   LIG    1       -2.415  -1.668   3.655  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -2.313  -3.148  -0.270  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -1.213  -0.903   2.175  0.00  0.00    +0.086 C 
ATOM     35  C   LIG    1       -2.864  -1.766  -0.571  0.00  0.00    +0.023 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5