REMARK  Name = BDB021957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.402  -0.285   0.703  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.120  -1.553   0.416  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.491  -1.633   0.540  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.971  -0.751   0.469  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.605  -2.477   0.058  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.822   0.000   0.409  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1        2.786  -0.799   1.307  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        3.846  -1.548   0.508  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        4.504  -0.663  -0.451  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        5.889  -0.688  -0.560  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1        6.607  -1.402   0.139  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        6.503   0.223  -1.595  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        3.642   0.134  -1.321  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.156  -0.115  -1.087  0.00  0.00    +0.041 C 
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -2.306  -2.786   0.460  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1       -3.706  -2.624   0.355  0.00  0.00    -0.029 A 
ATOM     17  C   LIG    1       -4.360  -1.268   0.301  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -4.529  -3.763   0.290  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.982  -5.043   0.336  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.606  -5.201   0.451  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.775  -4.080   0.516  0.00  0.00    +0.023 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -0.296   0.687   1.549  0.00  0.00    +0.144 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -2.168   4.018  -0.506  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -1.879   4.085   0.855  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -1.265   3.002   1.498  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -0.921   1.839   0.792  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -1.226   1.780  -0.574  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -1.839   2.861  -1.213  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -3.103   6.203  -0.581  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -2.763   4.996  -1.253  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5