REMARK  Name = BDB011457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.184  -0.099   0.134  0.00  0.00    +0.204 C 
ATOM      2  C   LIG    1       -0.493   0.838   1.165  0.00  0.00    +0.141 C 
ATOM      3  C   LIG    1       -0.610   0.115   2.536  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -0.347   1.040   3.720  0.00  0.00    +0.164 C 
ATOM      5  O   LIG    1       -0.937   2.311   3.500  0.00  0.00    -0.379 OA
ATOM      6  C   LIG    1       -0.329   3.035   2.433  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1        0.303   2.147   1.359  0.00  0.00    +0.078 C 
ATOM      8  O   LIG    1       -1.808   1.282   0.747  0.00  0.00    -0.481 OA
ATOM      9  C   LIG    1       -2.578   0.361   0.088  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -2.317  -0.025  -1.239  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -3.240  -0.875  -1.862  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.389  -1.312  -1.193  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.644  -0.889   0.108  0.00  0.00    +0.004 A 
ATOM     14  N   LIG    1       -1.150   0.442  -1.924  0.00  0.00    -0.264 N 
ATOM     15  C   LIG    1       -3.745  -0.041   0.744  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        0.094   0.506  -1.278  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        1.098   0.997  -1.810  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        2.166  -1.603   0.289  0.00  0.00    +0.230 C 
ATOM     19  N   LIG    1        1.598  -0.353   0.428  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        2.256   0.410   0.290  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        1.506  -2.628   0.149  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     22  C   LIG    1        3.714  -1.571   0.263  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1        4.320  -2.953   0.489  0.00  0.00    +0.034 C 
BRANCH  22  25
ATOM     24  C   LIG    1        4.077  -0.815   2.582  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        4.247  -0.515   1.164  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        5.244  -0.408   0.974  0.00  0.00    +0.122 HD
ENDBRANCH  22  25
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH  14  27
ATOM     27  C   LIG    1       -1.183   0.825  -3.351  0.00  0.00    +0.076 C 
ATOM     28  C   LIG    1       -0.764  -0.321  -4.276  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -2.471   1.508  -3.823  0.00  0.00    +0.028 C 
ENDBRANCH  14  27
TORSDOF 4