REMARK  Name = BDB061057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.201   1.074  -0.607  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1        1.369   1.395  -1.562  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.034   0.389  -0.530  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -1.166   1.013  -1.076  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.435   0.414  -1.018  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -3.621   1.104  -1.651  0.00  0.00    +0.116 C 
ATOM      7  N   LIG    1       -4.916   0.619  -1.157  0.00  0.00    -0.312 NA
ATOM      8  H   LIG    1       -4.996   0.885  -0.175  0.00  0.00    +0.122 HD
ATOM      9  C   LIG    1       -4.959  -0.845  -1.252  0.00  0.00    +0.086 C 
ATOM     10  C   LIG    1       -3.927  -1.504  -0.328  0.00  0.00    +0.050 C 
ATOM     11  C   LIG    1       -2.570  -0.850  -0.422  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -1.449  -1.474   0.135  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -0.195  -0.859   0.080  0.00  0.00    +0.023 A 
ENDBRANCH   1   3
BRANCH   1  20
ATOM     14  C   LIG    1        5.660  -0.238   2.587  0.00  0.00    +0.176 C 
ATOM     15  N   LIG    1        4.558   0.080   1.696  0.00  0.00    -0.231 N 
ATOM     16  C   LIG    1        4.814   0.412   0.369  0.00  0.00    +0.287 A 
ATOM     17  O   LIG    1        5.942   0.421  -0.121  0.00  0.00    -0.265 OA
ATOM     18  C   LIG    1        3.616   0.754  -0.449  0.00  0.00    +0.129 A 
ATOM     19 CL   LIG    1        3.882   1.116  -2.124  0.00  0.00    -0.076 Cl
ATOM     20  C   LIG    1        2.376   0.757   0.060  0.00  0.00    +0.075 A 
ATOM     21  C   LIG    1        2.332   0.508   1.523  0.00  0.00    +0.157 A 
ATOM     22  N   LIG    1        3.324   0.185   2.286  0.00  0.00    -0.175 NA
ENDBRANCH   1  20
TORSDOF 2