REMARK  Name = BDB053741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.446  -0.176   1.275  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1        0.954  -1.491   1.139  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -0.108  -2.339   0.833  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        0.116  -3.720   0.698  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.426  -4.165   0.840  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        2.421  -3.246   1.117  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.266  -1.565   0.802  0.00  0.00    -0.310 N 
ATOM      8  N   LIG    1        2.235  -1.922   1.274  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -0.928  -0.235   1.041  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        0.807   1.736   2.555  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.183   1.034   1.617  0.00  0.00    +0.251 C 
ATOM     12  N   LIG    1        2.297   1.365   0.847  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        2.444   0.967  -0.558  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.919   0.944  -0.992  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.617   2.213  -0.712  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        5.604   2.105  -0.939  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        4.487   2.537   0.720  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.026   2.580   1.201  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.571  -2.080   0.571  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.801  -2.938  -0.512  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.082  -3.447  -0.733  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.127  -3.111   0.127  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.895  -2.266   1.212  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.619  -1.749   1.438  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  C   LIG    1       -1.878   0.930   0.932  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.626   1.755  -0.314  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -0.988   3.001  -0.228  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -0.737   3.749  -1.379  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.124   3.263  -2.626  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.764   2.028  -2.724  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.014   1.277  -1.574  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4