REMARK  Name = BDB056218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.068  -0.606  -0.114  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1        0.243  -1.516  -0.923  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -1.183  -1.612  -0.358  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1       -1.611  -0.366   0.454  0.00  0.00    -0.014 C 
ATOM      5  C   LIG    1       -1.611   0.882  -0.483  0.00  0.00    +0.088 C 
ATOM      6  N   LIG    1       -2.459   1.947   0.051  0.00  0.00    -0.315 NA
ATOM      7  H   LIG    1       -2.342   2.796  -0.501  0.00  0.00    +0.122 HD
ATOM      8  C   LIG    1       -3.874   1.563   0.047  0.00  0.00    +0.081 C 
ATOM      9  C   LIG    1       -4.109   0.055   0.175  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -3.035  -0.586   1.046  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -0.603  -0.179   1.626  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        0.811  -0.696   1.324  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        4.309  -1.659  -1.363  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        5.189  -0.683  -1.106  0.00  0.00    -0.214 NA
ATOM     15  C   LIG    1        4.615   0.371  -0.503  0.00  0.00    +0.183 A 
ATOM     16  C   LIG    1        3.276   0.419  -0.170  0.00  0.00    +0.125 A 
ATOM     17  N   LIG    1        3.100   1.662   0.373  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        2.220   2.042   0.693  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        4.314   2.288   0.376  0.00  0.00    +0.199 A 
ATOM     20  C   LIG    1        2.427  -0.644  -0.437  0.00  0.00    +0.150 A 
ATOM     21  N   LIG    1        5.254   1.530  -0.145  0.00  0.00    -0.216 NA
ATOM     22  N   LIG    1        2.989  -1.694  -1.079  0.00  0.00    -0.219 NA
ENDBRANCH   1  20
TORSDOF 1