REMARK  Name = BDB013921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.480  -0.473  -0.415  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.617   0.771  -0.111  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.127   1.746   0.457  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.717   0.757  -0.530  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.334  -0.395  -1.103  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.158  -1.670  -0.532  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.771  -2.785  -1.124  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.554  -2.640  -2.267  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.728  -1.383  -2.834  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.359  -1.847   0.731  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.122  -0.266  -2.256  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.134  -1.651   0.499  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.916  -0.791  -0.832  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.885  -0.092  -0.252  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.060   0.751   0.285  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.720  -1.818  -1.482  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.336  -0.235  -0.539  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.462   1.260  -0.834  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.487  -0.788  -2.653  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.367  -1.056  -1.223  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.079  -2.034  -1.119  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.544   1.943  -0.269  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.167   1.923   1.127  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1       -3.441   1.353   1.412  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -3.897   1.319   2.762  0.00  0.00    +0.092 A 
ATOM     26  C   LIG    1       -5.151   0.744   3.070  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -5.968   0.214   2.077  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.546   0.251   0.758  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -3.101   1.859   3.795  0.00  0.00    -0.139 N 
ATOM     30  O   LIG    1       -3.476   1.843   5.018  0.00  0.00    -0.164 OA
ATOM     31  C   LIG    1       -1.882   2.425   3.482  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -4.306   0.813   0.432  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -1.411   2.464   2.178  0.00  0.00    +0.027 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5