REMARK  Name = BDB001366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.063   0.978   0.140  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -2.426   0.508   0.424  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1       -2.797   0.698   1.738  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -3.817   0.347   2.301  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -1.729   1.464   2.380  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -1.691   1.976   3.664  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -0.587   2.752   4.016  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.431   3.007   3.081  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.368   2.478   1.786  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.719   1.681   1.445  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.063   1.909  -1.081  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.452   1.540  -2.293  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.471   2.392  -3.401  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.115   3.623  -3.324  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.745   4.003  -2.143  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.724   3.154  -1.035  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1       -0.302  -0.212  -0.061  0.00  0.00    -0.346 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.101  -0.167   0.156  0.00  0.00    +0.182 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.709  -1.453  -0.409  0.00  0.00    +0.136 C 
BRANCH  19  22
ATOM     20  O   LIG    1        3.796  -0.113  -1.933  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1        4.050  -0.794  -0.954  0.00  0.00    +0.216 C 
ATOM     22  N   LIG    1        3.145  -1.542  -0.212  0.00  0.00    -0.299 N 
ATOM     23  C   LIG    1        3.723  -1.996   1.026  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1        5.205  -2.045   0.708  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1        5.399  -0.904  -0.285  0.00  0.00    +0.097 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  26
ATOM     26  C   LIG    1       -3.219  -0.267  -0.514  0.00  0.00    +0.146 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.810  -1.718  -0.610  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.178  -2.206  -1.763  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -1.789  -3.544  -1.847  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.030  -4.408  -0.781  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.660  -3.936   0.369  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.047  -2.598   0.455  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 7