REMARK  Name = BDB057858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.697  -0.444   0.574  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.376  -0.537   0.336  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -0.592   0.472   0.744  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -1.115   1.583   1.394  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -0.281   2.775   1.782  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -1.016   3.747   2.714  0.00  0.00    +0.086 C 
ATOM      7  N   LIG    1       -2.387   4.008   2.264  0.00  0.00    -0.310 NA
ATOM      8  H   LIG    1       -2.368   4.334   1.297  0.00  0.00    +0.122 HD
ATOM      9  C   LIG    1       -3.156   2.752   2.307  0.00  0.00    +0.137 C 
ATOM     10  C   LIG    1       -2.491   1.592   1.594  0.00  0.00    +0.064 A 
ATOM     11  N   LIG    1       -3.289   0.579   1.209  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.735  -1.446  -0.594  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1       -3.538  -1.580   0.160  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -3.135  -2.879   0.547  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.892  -4.009   0.238  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.078  -3.868  -0.466  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.496  -2.602  -0.876  0.00  0.00    +0.004 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.584  -0.118  -2.601  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -5.223  -0.092  -1.109  0.00  0.00    +0.014 C 
ATOM     20  C   LIG    1       -6.407   0.410  -0.279  0.00  0.00    +0.012 C 
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   3  21
ATOM     21  N   LIG    1        0.784   0.426   0.462  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        1.316   0.575   1.314  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.229  -0.782  -0.223  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.729  -0.711  -0.403  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.584  -1.498   0.376  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.971  -1.415   0.212  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        5.542  -0.542  -0.729  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        4.675   0.249  -1.499  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        3.288   0.168  -1.338  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.999  -0.457  -0.900  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.787  -1.593  -1.098  0.00  0.00    +0.119 A 
ATOM     32  N   LIG    1        9.134  -1.586  -1.256  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        9.739  -0.381  -1.222  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        9.062   0.811  -1.036  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        7.678   0.768  -0.874  0.00  0.00    +0.011 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 6