REMARK  Name = BDB014540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.466   0.461  -1.410  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.779   0.666  -0.873  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.459   0.992  -1.556  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.605   0.552  -2.628  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.605   0.106  -0.447  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.882  -0.028  -1.054  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.675  -1.565  -1.290  0.00  0.00    -0.003 A 
ATOM      8  C   LIG    1        3.292  -1.301  -1.358  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        2.408  -2.307  -1.767  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.878  -3.586  -2.067  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.236  -3.866  -1.976  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.127  -2.862  -1.596  0.00  0.00    +0.007 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.772   3.009   0.251  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        7.174   1.721  -0.085  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1        6.917   1.620  -1.531  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        5.785   0.650  -1.901  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1        5.710  -0.516  -0.904  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1        5.552  -0.007   0.543  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1        5.971   1.458   0.702  0.00  0.00    +0.084 C 
ENDBRANCH   7  17
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.111   0.848   0.530  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.633   0.921   0.763  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.173   1.932  -0.098  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.807   2.789   0.183  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.308  -0.446   0.484  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.705  -0.641   0.912  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.656   0.219   0.190  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.096  -0.016   0.609  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.397  -0.591   1.857  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.734  -0.764   2.239  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.766  -0.347   1.399  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.471   0.240   0.170  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.283  -1.079   2.750  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.143   0.409  -0.223  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.910  -0.513   2.357  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9