REMARK  Name = BDB045770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.552  -0.532  -0.159  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -0.924  -1.336  -0.653  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -4.774   0.188  -0.620  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -5.534   0.355   0.549  0.00  0.00    +0.164 A 
ATOM      5  C   LIG    1       -4.895   0.326   1.793  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -3.526   0.128   1.915  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -2.762  -0.062   0.757  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -1.383  -0.271   0.966  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -0.841  -0.260   2.196  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1       -1.672  -0.059   3.221  0.00  0.00    +0.223 A 
ATOM     11  N   LIG    1       -2.993   0.127   3.139  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -3.399  -0.021  -0.511  0.00  0.00    +0.062 A 
BRANCH   3  14
ATOM     13  C   LIG    1       -4.714   0.214  -3.010  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -5.464   0.239  -1.804  0.00  0.00    -0.491 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  O   LIG    1       -6.881   0.545   0.369  0.00  0.00    -0.486 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -7.686   0.759   1.524  0.00  0.00    +0.257 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -9.132   0.955   1.077  0.00  0.00    +0.196 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -9.976   1.235   2.187  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1       -9.760   2.131   2.498  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        0.858  -0.491  -0.230  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        1.632   0.366   0.558  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.026   0.435   0.410  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.675  -0.336  -0.551  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        2.906  -1.172  -1.367  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        1.515  -1.236  -1.217  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  N   LIG    1        5.069  -0.333  -0.759  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1        5.404  -0.942  -1.493  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1        6.009   0.469  -0.136  0.00  0.00    +0.248 C 
ATOM     29  O   LIG    1        5.794   1.378   0.657  0.00  0.00    -0.270 OA
BRANCH  28  30
ATOM     30  C   LIG    1        7.420   0.197  -0.531  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        7.880  -1.106  -0.766  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        9.210  -1.318  -1.134  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       10.083  -0.236  -1.259  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        9.633   1.059  -1.007  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        8.305   1.277  -0.638  0.00  0.00    +0.013 A 
ENDBRANCH  28  30
ENDBRANCH  23  26
ENDBRANCH   1  20
TORSDOF 9