REMARK  Name = BDB003797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.669   0.112  -0.283  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.543  -0.599  -0.103  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        0.627   0.060  -0.054  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        0.728   1.388  -0.192  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -0.410   2.070  -0.399  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -1.644   1.477  -0.456  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.854  -0.630  -0.344  0.00  0.00    -0.298 N 
ATOM      8  H   LIG    1       -2.613  -1.616  -0.267  0.00  0.00    +0.154 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -5.262  -1.079  -0.399  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1       -4.165  -0.340   0.096  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.430   0.687   1.016  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -5.735   0.976   1.427  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.806   0.244   0.926  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.571  -0.784   0.016  0.00  0.00    +0.021 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -4.925  -3.022  -2.087  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -5.073  -2.146  -1.341  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  N   LIG    1        1.744  -0.748   0.148  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        1.440  -1.709   0.209  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.113  -0.503   0.282  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.978  -1.601   0.440  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        5.360  -1.429   0.570  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        5.905  -0.146   0.532  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.065   0.961   0.397  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        3.682   0.776   0.268  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        7.370   0.007   0.668  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        8.044  -0.664   1.429  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        7.883   0.930  -0.173  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        7.254   1.261  -0.841  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 7