REMARK  Name = BDB028198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.646  -0.123  -0.550  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.732  -0.759   0.084  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.035  -0.250  -0.027  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.252   0.914  -0.758  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.611   1.474  -0.839  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.584   0.795  -0.149  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.529   1.165  -0.191  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.412  -0.352   0.559  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.845   2.492  -1.480  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.190   1.561  -1.397  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.220  -0.873   0.617  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.898   1.042  -1.293  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.075  -0.402   0.119  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        1.786   0.134   0.008  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        0.717  -0.659  -0.432  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        1.021  -1.982  -0.753  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        2.252  -2.538  -0.664  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        3.249  -1.735  -0.234  0.00  0.00    +0.114 A 
BRANCH  13  19
ATOM     19  C   LIG    1        4.235   0.440   0.574  0.00  0.00    +0.036 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.072   2.016  -0.129  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        4.900   1.167  -0.596  0.00  0.00    +0.001 C 
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  22
ATOM     22  C   LIG    1       -4.069  -2.170   1.410  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.836  -1.854   2.820  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -4.648  -1.337   3.166  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -3.045  -1.220   2.919  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 5