REMARK  Name = BDB014522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.267  -0.940   0.345  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -0.701  -0.173  -0.509  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.130   0.632  -1.267  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.254   1.218  -1.999  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.576   0.615  -1.088  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.239  -0.567  -1.814  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        1.934  -0.442  -3.218  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        1.009  -0.732  -3.310  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        3.779  -0.581  -1.643  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        4.284  -1.516  -0.618  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        5.753  -1.646  -0.684  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        6.521  -0.508  -0.043  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.928   0.293   0.950  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        6.674   1.312   1.558  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.005   1.522   1.199  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.599   0.720   0.227  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.477   0.101   1.315  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        7.863  -0.293  -0.389  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.890  -1.208   0.764  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       -2.187  -0.007  -0.849  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.063  -0.852  -0.108  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.688  -0.158   0.895  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -5.017   0.269   0.730  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1       -5.633   0.919   1.813  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -4.943   1.145   3.007  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.630   0.705   3.151  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.005   0.042   2.098  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.771  -0.026  -0.552  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1       -6.608  -1.308  -0.430  0.00  0.00    +0.089 C 
ATOM     30  N   LIG    1       -7.820  -1.036  -1.212  0.00  0.00    -0.315 NA
ATOM     31  H   LIG    1       -8.580  -1.643  -0.910  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -8.130   0.364  -0.939  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -6.773   1.043  -1.020  0.00  0.00    +0.024 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9