REMARK  Name = BDB014521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.832  -1.514   2.304  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.171  -0.587   1.571  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.687  -0.447   0.282  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.229   0.111  -0.371  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.101  -1.502  -0.332  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.783  -1.032  -1.621  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.196  -0.418  -2.477  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.331   0.138  -3.090  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.922  -0.024  -1.352  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.446   0.561  -2.612  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.336   1.708  -2.328  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.716   1.337  -1.829  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.271   0.075  -2.109  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.564  -0.231  -1.666  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.311   0.714  -0.965  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.772   1.972  -0.701  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.456  -0.971  -2.828  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.484   2.284  -1.135  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.178  -0.398  -3.461  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.134   0.531   1.983  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.810   0.217   3.202  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.082   0.730   3.195  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        5.157   0.077   2.567  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        6.413   0.704   2.579  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.600   1.925   3.234  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.533   2.537   3.889  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.274   1.938   3.873  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1        5.034  -1.207   1.898  0.00  0.00    +0.092 A 
ATOM     29  N   LIG    1        5.764  -1.554   0.782  0.00  0.00    -0.236 NA
ATOM     30  C   LIG    1        5.383  -2.775   0.479  0.00  0.00    +0.197 A 
ATOM     31  N   LIG    1        4.445  -3.238   1.356  0.00  0.00    -0.350 N 
ATOM     32  H   LIG    1        4.001  -4.146   1.331  0.00  0.00    +0.166 HD
ATOM     33  C   LIG    1        4.223  -2.254   2.278  0.00  0.00    +0.112 A 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9