REMARK  Name = BDB059898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.649   1.020   0.524  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -0.911  -0.119   0.220  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1        0.403   0.309   0.130  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.498  -0.556  -0.088  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        1.277  -1.831  -0.262  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.030  -2.268  -0.233  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.397   1.669   0.279  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.125  -1.509  -0.004  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -0.805   2.129   0.529  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.424  -2.199  -0.097  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -2.878  -3.013   0.949  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.096  -3.686   0.839  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.865  -3.554  -0.317  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.419  -2.749  -1.364  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.202  -2.073  -1.256  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1       -3.080   1.137   0.820  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1       -3.814   0.195   1.093  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.506   2.437   0.778  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -5.213   4.093   0.986  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -4.894   2.613   1.077  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1        2.772  -0.031  -0.105  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.937   0.837   0.390  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.936  -0.896  -0.146  0.00  0.00    +0.139 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.181  -0.044  -0.162  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.597   0.579  -1.348  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.732   1.391  -1.360  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.458   1.592  -0.188  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.050   0.985   0.998  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.915   0.173   1.014  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 7