REMARK  Name = BDB018470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.894  -2.395  -0.416  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.560  -2.481   0.203  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.033  -3.709   0.388  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.693  -4.872   0.032  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.040  -6.147   0.287  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.955  -4.860  -0.544  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.595  -5.855  -0.869  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.546  -3.518  -0.770  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.904   1.221  -1.247  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -4.376   0.441  -0.251  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1       -3.707  -0.712  -0.018  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1       -2.586  -1.130  -0.733  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.132  -0.297  -1.758  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.800   0.897  -2.020  0.00  0.00    +0.068 A 
BRANCH   9  15
ATOM     15  O   LIG    1       -4.530   2.413  -1.548  0.00  0.00    -0.477 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -6.225   4.034  -1.123  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       -5.641   2.699  -0.696  0.00  0.00    +0.227 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1        0.170  -1.313   0.602  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.473  -1.018   0.266  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        1.793   0.184   0.867  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        0.713   0.696   1.518  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -0.244  -0.222   1.380  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.007   0.927   0.808  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        4.243   0.378   0.440  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1        5.364   1.210   0.285  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.277   2.582   0.538  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        4.070   3.133   0.958  0.00  0.00    +0.122 A 
ATOM     28  C   LIG    1        2.947   2.307   1.094  0.00  0.00    +0.074 A 
BRANCH  24  29
ATOM     29  C   LIG    1        4.519  -1.060   0.297  0.00  0.00    +0.339 C 
ATOM     30  O   LIG    1        5.047  -1.601  -0.654  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        4.196  -1.722   1.419  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        4.508  -2.639   1.269  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
BRANCH  27  33
ATOM     33  O   LIG    1        3.848   4.450   1.252  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1        4.959   5.332   1.150  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 8