REMARK  Name = BDB018821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.814  -0.479   0.416  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.752   0.062  -0.297  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.611  -0.085   0.028  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.404   0.585  -0.902  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        2.790   0.589  -0.803  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.403  -0.105   0.250  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        2.592  -0.774   1.188  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.573   1.278  -1.931  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        1.194  -0.766   1.081  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.839   0.806  -1.567  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -1.683  -1.118   1.463  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        4.860  -0.120   0.367  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        5.575  -1.179   0.873  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1        5.216  -2.064   1.212  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        6.906  -0.989   0.886  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        7.052   0.227   0.360  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1        5.820   0.809   0.013  0.00  0.00    +0.049 A 
ENDBRANCH   6  12
BRANCH   1  19
ATOM     18  N   LIG    1       -4.229  -1.243   0.193  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -3.219  -0.179  -0.131  0.00  0.00    +0.170 C 
ATOM     20  C   LIG    1       -3.762   1.097   0.525  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -5.236   0.811   0.744  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -5.248  -0.665   1.096  0.00  0.00    +0.117 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -3.888  -3.683  -0.201  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -4.037  -2.554   0.002  0.00  0.00    +0.170 C 
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 3