REMARK  Name = BDB003187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.370   0.730   0.490  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -1.173   1.666   0.175  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.375   0.157   1.252  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        0.900   0.674   0.989  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        1.306   1.076  -0.370  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.597   1.918  -0.386  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1        3.680   1.284   0.392  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        3.256   0.993   1.784  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        1.992   0.116   1.801  0.00  0.00    +0.128 C 
ATOM     10  O   LIG    1       -0.555  -0.702   2.111  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.564   0.384  -0.207  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        4.383  -0.134  -1.501  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        5.299  -1.026  -2.074  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        6.426  -1.403  -1.363  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1        7.304  -2.253  -1.911  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        6.657  -0.898  -0.095  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        5.736  -0.010   0.469  0.00  0.00    +0.026 A 
ENDBRANCH   7  11
BRANCH   1  21
ATOM     18  C   LIG    1       -5.431  -0.384   0.093  0.00  0.00    -0.048 A 
ATOM     19  C   LIG    1       -4.961   0.849  -0.372  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.614   1.195  -0.224  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.715   0.318   0.393  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -3.179  -0.918   0.841  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.527  -1.266   0.694  0.00  0.00    +0.005 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -7.120  -1.485  -1.398  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -6.878  -0.769  -0.079  0.00  0.00    +0.032 C 
ENDBRANCH  18  25
ENDBRANCH   1  21
TORSDOF 3