REMARK  Name = BDB016057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.631   2.169   0.251  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.227   1.136   0.135  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.534   1.393  -0.053  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.011   2.706  -0.090  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.050   3.693   0.044  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.267   3.461   0.203  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.862   0.186   0.700  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.507   0.520   0.540  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.064   1.854   0.425  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.044   2.860   0.482  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.397   2.549   0.644  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.803   1.219   0.753  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        3.964  -4.769   0.401  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.308  -3.395   0.675  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.424  -3.113   1.373  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.400  -1.780   1.468  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.279  -1.201   0.827  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.605  -2.286   0.304  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.412   3.054  -0.236  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.898   4.084  -1.016  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.256   4.060  -0.877  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.210   4.946  -1.499  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.694   3.082  -0.066  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.571   2.478   0.333  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.426   0.316  -0.184  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.038   0.494  -0.979  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.962  -1.075  -0.169  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -1.429  -1.514   1.205  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -0.427  -2.666   1.117  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -0.743  -3.618  -0.029  0.00  0.00    +0.115 C 
ATOM     31  C   LIG    1       -0.723  -2.921  -1.393  0.00  0.00    +0.033 C 
ATOM     32  C   LIG    1       -1.024  -1.421  -1.329  0.00  0.00    +0.025 C 
BRANCH  30  33
ATOM     33  O   LIG    1        0.211  -4.677  -0.031  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -0.074  -5.320  -0.703  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6