REMARK  Name = BDB034766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.287   0.201  -4.995  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.019  -0.032  -3.606  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.176   0.283  -2.949  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.030  -0.053  -1.603  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.038   0.157  -0.683  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.238   0.727  -1.135  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.373   1.053  -2.510  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.255  -0.588  -1.432  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.339   0.838  -3.431  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.935  -0.556  -2.671  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.086  -0.905  -2.878  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.348   0.943  -0.289  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        3.923   1.726  -0.595  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.698   0.377   0.958  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.377   1.126   1.938  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        4.651   0.516   3.156  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        5.474   1.311   4.444  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        4.309  -0.754   3.469  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        3.661  -1.455   2.521  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        3.338  -0.940   1.276  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.773   2.475   1.691  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        5.089   3.560   1.426  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -1.841  -0.998  -0.179  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.494   0.180   0.547  0.00  0.00    +0.065 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.073  -0.176   1.928  0.00  0.00    +0.159 C 
ATOM     26  C   LIG    1       -4.179  -1.232   1.834  0.00  0.00    +0.051 C 
BRANCH  25  27
ATOM     27  C   LIG    1       -3.643   1.104   2.587  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -4.681   1.612   1.891  0.00  0.00    -0.168 F 
ATOM     29  F   LIG    1       -2.705   2.070   2.698  0.00  0.00    -0.168 F 
ATOM     30  F   LIG    1       -4.082   0.828   3.840  0.00  0.00    -0.168 F 
ENDBRANCH  25  27
BRANCH  25  31
ATOM     31  O   LIG    1       -2.007  -0.749   2.720  0.00  0.00    -0.380 OA
ATOM     32  H   LIG    1       -2.311  -0.773   3.648  0.00  0.00    +0.211 HD
ENDBRANCH  25  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 8