REMARK  Name = BDB031797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.745   0.215   0.606  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1        1.486  -0.373   0.258  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.527   0.464   0.810  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.850   0.238   0.696  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -1.292  -0.889  -0.022  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.327  -1.748  -0.574  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1        1.238   1.457   1.420  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1        0.875   2.259   1.921  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        1.052  -1.508  -0.451  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1        2.566   1.320   1.336  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.769  -1.188  -0.140  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -3.717  -0.265  -0.879  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -5.067   0.071  -0.310  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -5.347   1.407  -0.631  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -6.507   2.050  -0.256  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -7.435   1.311   0.480  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -7.195  -0.041   0.811  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -8.198  -0.801   1.631  0.00  0.00    +0.044 C 
ATOM     19  N   LIG    1       -4.291   1.939  -1.373  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -4.254   2.867  -1.762  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -5.994  -0.658   0.420  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.295   1.001  -1.591  0.00  0.00    +0.228 C 
ATOM     23  O   LIG    1       -2.285   1.151  -2.258  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1       -3.383  -1.608  -1.460  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     25  N   LIG    1        3.916  -0.349   0.230  0.00  0.00    -0.279 N 
ATOM     26  H   LIG    1        3.893  -1.162  -0.374  0.00  0.00    +0.155 HD
BRANCH  25  28
ATOM     27  C   LIG    1        6.275  -0.719  -0.064  0.00  0.00    +0.178 A 
ATOM     28  C   LIG    1        5.242   0.146   0.309  0.00  0.00    +0.170 A 
ATOM     29  N   LIG    1        5.497   1.390   0.760  0.00  0.00    -0.214 NA
ATOM     30  C   LIG    1        6.776   1.782   0.850  0.00  0.00    +0.128 A 
ATOM     31  C   LIG    1        7.038   3.175   1.328  0.00  0.00    +0.088 C 
ATOM     32  N   LIG    1        7.833   1.028   0.502  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1        7.552  -0.212   0.055  0.00  0.00    +0.162 A 
BRANCH  27  35
ATOM     34  C   LIG    1        6.995  -2.851  -0.824  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        5.925  -1.962  -0.521  0.00  0.00    -0.490 OA
ENDBRANCH  27  35
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4