REMARK  Name = BDB029576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.667   2.059   0.669  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.632   0.863   0.947  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.483   0.191   1.369  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.481  -1.262   1.477  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        1.754  -1.785   2.130  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.956  -1.220   1.430  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1        4.161  -1.925   1.377  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        5.278  -1.363   0.750  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        5.225  -0.086   0.179  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        4.017   0.620   0.250  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.890   0.064   0.871  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        6.317   0.497  -0.487  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        6.254   1.508  -0.569  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        7.370  -0.070  -1.226  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        7.362  -1.357  -1.745  0.00  0.00    +0.158 A 
ATOM     16  N   LIG    1        8.404  -1.906  -2.413  0.00  0.00    -0.156 NA
ATOM     17  N   LIG    1        9.534  -1.179  -2.591  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1        9.591   0.073  -2.098  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1        8.541   0.658  -1.413  0.00  0.00    +0.046 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  20
ATOM     20  C   LIG    1       -0.812   0.879   1.276  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.628   0.505   0.018  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -0.866   0.776  -1.167  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.404   0.516  -1.933  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.955   1.298  -0.044  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.873   1.049   1.082  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.539  -0.266   1.010  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.655  -0.363  -0.008  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.327   0.791  -0.453  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.381   0.672  -1.369  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.782  -0.584  -1.823  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.131  -1.729  -1.369  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.875   2.157   0.001  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.076  -1.621  -0.463  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.905   2.097   1.191  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7