REMARK  Name = BDB057684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.661   1.454   0.967  0.00  0.00    -0.287 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.197   2.558   1.446  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1       -0.703   3.776   1.697  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1        1.363   2.968   0.536  0.00  0.00    +0.024 C 
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1       -0.308   0.149   1.569  0.00  0.00    +0.142 C 
BRANCH   5  11
ATOM      6  C   LIG    1        5.191  -0.070   2.575  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1        4.548  -0.813   1.433  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1        3.133  -0.754   1.182  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1        2.631  -1.473   0.103  0.00  0.00    -0.306 N 
ATOM     10  C   LIG    1        1.279  -1.259   0.076  0.00  0.00    +0.117 A 
ATOM     11  C   LIG    1        1.010  -0.405   1.128  0.00  0.00    +0.074 A 
ATOM     12  C   LIG    1        3.419  -2.243  -0.744  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        4.741  -2.308  -0.521  0.00  0.00    +0.018 A 
ATOM     14  N   LIG    1        2.171  -0.111   1.814  0.00  0.00    -0.231 NA
ATOM     15  C   LIG    1        5.304  -1.569   0.599  0.00  0.00    +0.008 A 
ENDBRANCH   5  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.846   1.409  -0.494  0.00  0.00    +0.159 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.035   0.527  -0.850  0.00  0.00    +0.125 A 
ATOM     18  N   LIG    1       -3.178   0.773  -0.133  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -3.133   1.430   0.636  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1       -4.332   0.051  -0.279  0.00  0.00    +0.259 A 
ATOM     21  O   LIG    1       -5.313   0.225   0.433  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -4.304  -0.967  -1.344  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1       -3.108  -1.131  -2.050  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -3.058  -2.091  -3.062  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -4.180  -2.872  -3.359  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.365  -2.699  -2.643  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.432  -1.743  -1.629  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1       -1.956  -0.370  -1.780  0.00  0.00    -0.232 NA
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5