REMARK  Name = BDB014556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.321  -3.468   0.685  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.165  -2.738   0.171  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.889  -1.897  -0.884  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -1.627  -1.263  -1.177  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.452  -1.723  -1.416  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.308  -0.790  -0.540  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.612   0.465  -0.432  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.177   0.275   0.107  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        2.696  -0.574  -1.188  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.758  -0.103  -0.267  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        5.051  -0.091  -0.984  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        6.194   0.513  -0.197  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.947   1.377   0.882  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        7.021   1.953   1.575  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.333   1.694   1.181  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.582   0.853   0.099  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.533   1.625   1.333  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        7.519   0.268  -0.589  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.487   1.237   0.276  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       -2.622  -2.718   0.630  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.240  -1.502   0.214  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.558  -1.316   0.544  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -5.126  -0.094   0.124  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -4.290   0.913  -0.633  0.00  0.00    +0.042 C 
ATOM     25  C   LIG    1       -5.139   1.975  -1.323  0.00  0.00    +0.023 C 
ATOM     26  C   LIG    1       -6.195   2.486  -0.359  0.00  0.00    +0.102 C 
ATOM     27  N   LIG    1       -7.084   1.398   0.024  0.00  0.00    -0.344 N 
ATOM     28  H   LIG    1       -7.835   1.687   0.645  0.00  0.00    +0.146 HD
ATOM     29  C   LIG    1       -6.459   0.217   0.461  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -7.230  -0.741   1.129  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -6.673  -1.954   1.529  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.338  -2.237   1.246  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8