REMARK  Name = BDB014530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.871   1.741  -2.243  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.762   1.130  -1.183  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.727   0.247  -0.939  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.825  -0.423  -0.182  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.186  -0.151  -1.996  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.480  -0.754  -1.438  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        1.151  -1.803  -0.510  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        1.972  -1.924   0.014  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        2.355   0.294  -0.718  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.519  -0.350  -0.062  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        4.064   0.552   0.977  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        5.348   0.053   1.604  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        6.157  -0.887   0.941  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        7.356  -1.313   1.528  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        7.763  -0.789   2.755  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.975   0.158   3.405  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.702  -1.479  -0.367  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        5.774   0.579   2.832  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.588  -0.659  -1.032  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       -2.726   1.279   0.001  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.846   2.117  -0.267  0.00  0.00    -0.479 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.917   1.390  -0.718  0.00  0.00    +0.164 A 
ATOM     23  C   LIG    1       -5.746   0.681   0.160  0.00  0.00    +0.184 A 
ATOM     24  O   LIG    1       -5.405   0.662   1.487  0.00  0.00    -0.477 OA
ATOM     25  C   LIG    1       -6.437   0.227   2.358  0.00  0.00    +0.325 C 
ATOM     26  C   LIG    1       -7.503  -0.738   1.847  0.00  0.00    +0.255 C 
ATOM     27  N   LIG    1       -7.668  -0.756   0.491  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1       -8.416  -1.330   0.126  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1       -8.215  -1.411   2.589  0.00  0.00    -0.272 OA
ATOM     30  C   LIG    1       -6.843  -0.015  -0.357  0.00  0.00    +0.079 A 
ATOM     31  C   LIG    1       -7.118   0.007  -1.726  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -6.304   0.745  -2.587  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1       -5.209   1.445  -2.081  0.00  0.00    +0.049 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8