REMARK  Name = BDB016601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.554  -0.813  -0.146  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.823  -0.414  -0.738  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1       -1.250   0.910  -0.256  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1       -1.054   1.134   1.178  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -0.738  -0.140   1.961  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        0.467  -0.891   1.388  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.541   0.189  -0.559  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        1.141   1.132  -0.605  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1        7.110  -0.371   0.202  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        5.686  -0.148   0.028  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1        5.209   1.132  -0.235  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1        5.936   2.123  -0.302  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1        3.734   1.241  -0.428  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        3.093   2.834  -0.683  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        2.920   0.175  -0.394  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        3.635  -1.108  -0.175  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        4.902  -1.274   0.022  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.534   1.368  -0.793  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.745   0.521  -0.452  0.00  0.00    -0.033 A 
ATOM     20  C   LIG    1       -4.482   0.751   0.721  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -5.592  -0.038   1.028  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.972  -1.055   0.162  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1       -7.037  -1.812   0.458  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -5.266  -1.297  -1.009  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -4.155  -0.509  -1.318  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4