REMARK  Name = BDB026491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.299   1.127   2.809  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.751   0.319   2.061  0.00  0.00    +0.110 C 
ATOM      3  N   LIG    1        0.212  -0.534   1.003  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.811  -0.270  -0.221  0.00  0.00    +0.312 C 
ATOM      5  O   LIG    1        0.617  -0.903  -1.248  0.00  0.00    -0.252 OA
ATOM      6  N   LIG    1        1.628   0.809  -0.077  0.00  0.00    -0.220 N 
ATOM      7  C   LIG    1        1.626   1.257   1.212  0.00  0.00    +0.246 C 
ATOM      8  O   LIG    1        2.244   2.225   1.638  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        1.669  -0.452   3.013  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -0.678  -1.671   1.226  0.00  0.00    +0.143 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -2.180  -1.417   0.955  0.00  0.00    +0.146 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -2.701  -0.554   1.969  0.00  0.00    -0.389 OA
ATOM     13  H   LIG    1       -3.670  -0.582   1.885  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1       -2.470  -0.872  -0.465  0.00  0.00    +0.117 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -3.875  -0.686  -0.875  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -4.427   0.625  -0.517  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -5.888   0.800  -0.881  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1       -6.692  -0.299  -1.231  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -8.044  -0.104  -1.544  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -8.603   1.172  -1.486  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -7.816   2.262  -1.122  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.082  -1.673  -1.333  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -6.466   2.078  -0.820  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.773  -1.789  -0.542  0.00  0.00    +0.089 C 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   3  10
BRANCH   6  25
ATOM     25  C   LIG    1        2.422   1.375  -1.141  0.00  0.00    +0.153 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.793   0.741  -1.203  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1        4.849   1.251  -0.433  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        6.113   0.646  -0.457  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        7.245   1.230   0.358  0.00  0.00    +0.195 C 
ATOM     30  O   LIG    1        8.368   0.349   0.488  0.00  0.00    -0.375 OA
ATOM     31  C   LIG    1        8.755  -0.187  -0.778  0.00  0.00    +0.165 C 
ATOM     32  C   LIG    1        7.678  -1.142  -1.282  0.00  0.00    +0.063 C 
ATOM     33  C   LIG    1        6.327  -0.474  -1.277  0.00  0.00    -0.040 A 
ATOM     34  C   LIG    1        5.271  -1.000  -2.028  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        4.013  -0.398  -1.990  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 7