REMARK  Name = BDB017081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.297  -0.988  -1.814  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.933  -0.699  -1.282  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.154  -1.669  -0.322  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.088  -2.548  -0.295  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.754  -2.119  -1.205  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.328  -1.782   0.543  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.478  -2.960   1.199  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.546  -3.103   2.007  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.496  -2.119   2.203  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.342  -0.907   1.529  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.237  -0.739   0.687  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.309   0.167   1.698  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        6.394   0.105   2.492  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        6.915   1.322   2.276  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        7.769   1.634   2.731  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.246   2.106   1.426  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        5.209   1.375   1.045  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.980  -0.267  -2.876  0.00  0.00    +0.161 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.260   1.506  -1.586  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1       -1.255   1.168  -2.505  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -0.485   2.199  -3.070  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -0.728   3.533  -2.739  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.748   3.855  -1.849  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.520   2.844  -1.278  0.00  0.00    +0.046 A 
BRANCH  19  25
ATOM     25  O   LIG    1       -3.031   0.501  -1.062  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.935   0.439   0.370  0.00  0.00    +0.232 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.192  -0.693   0.547  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -3.699  -0.797   0.866  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -3.487  -0.988   2.366  0.00  0.00    +0.010 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7