REMARK  Name = BDB018556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.764  -5.598  -0.445  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.733  -4.590  -0.251  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -0.451  -4.988   0.101  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -0.088  -6.148   0.266  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.532  -3.893   0.287  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.193  -2.603   0.101  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.183  -2.252  -0.292  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.068  -3.260  -0.438  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.263  -1.623   0.367  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.336  -1.459  -0.508  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        3.337  -0.566  -0.329  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        3.270   0.202   0.780  0.00  0.00    +0.215 A 
ATOM     13  C   LIG    1        2.250   0.115   1.715  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        1.232  -0.812   1.504  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1        4.252   1.136   1.037  0.00  0.00    -0.476 OA
BRANCH  15  16
ATOM     16  C   LIG    1        5.255   1.189   0.024  0.00  0.00    +0.234 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.260   2.229   0.427  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        6.011   3.688   0.139  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1        7.081   2.946  -0.614  0.00  0.00    +0.007 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -1.593  -0.894  -0.512  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.740  -0.306  -0.021  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.779   0.988  -0.494  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -1.649   1.275  -1.194  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -0.964   0.132  -1.234  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.774   2.001  -0.314  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1       -5.111   1.743   0.059  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1       -5.985   2.833   0.253  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -7.639   2.616   0.726  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -5.556   4.149   0.058  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -4.252   4.400  -0.347  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.371   3.337  -0.536  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -5.652   0.418   0.160  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -6.074  -0.661   0.232  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 7