REMARK  Name = BDB061704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.358  -0.784   1.246  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1       -1.605  -0.611   0.129  0.00  0.00    -0.249 NA
ATOM      3  C   LIG    1       -0.289  -0.890   0.162  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.338  -1.359   1.319  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.704  -1.617   1.256  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1        2.455  -1.442   0.147  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1        1.840  -1.003  -0.969  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.434  -1.542   2.473  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.478  -0.713  -0.976  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -1.793  -1.251   2.434  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -3.867  -0.449   1.186  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -4.110   0.812   2.021  0.00  0.00    +0.048 C 
BRANCH  11  17
ATOM     13  C   LIG    1       -7.346   2.750  -1.083  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -6.422   1.620  -1.189  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -5.049   2.049  -0.915  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -4.052   0.898  -1.075  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -4.413  -0.380  -0.289  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1       -5.921  -0.677  -0.461  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -6.829   0.537  -0.289  0.00  0.00    +0.084 C 
ENDBRANCH  11  17
BRANCH  11  20
ATOM     20  O   LIG    1       -4.558  -1.523   1.857  0.00  0.00    -0.382 OA
ATOM     21  H   LIG    1       -4.318  -2.341   1.384  0.00  0.00    +0.211 HD
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  N   LIG    1        2.565  -0.785  -2.163  0.00  0.00    -0.297 N 
ATOM     23  H   LIG    1        2.054  -1.155  -2.963  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.962  -0.863  -2.377  0.00  0.00    +0.075 A 
ATOM     25  C   LIG    1        4.441  -1.131  -3.661  0.00  0.00    +0.163 A 
ATOM     26  F   LIG    1        3.582  -1.373  -4.664  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        5.802  -1.154  -3.890  0.00  0.00    +0.154 A 
ATOM     28  N   LIG    1        6.723  -0.916  -2.930  0.00  0.00    -0.218 NA
ATOM     29  C   LIG    1        6.262  -0.635  -1.692  0.00  0.00    +0.217 A 
ATOM     30  C   LIG    1        4.906  -0.584  -1.384  0.00  0.00    +0.093 A 
BRANCH  29  31
ATOM     31  O   LIG    1        7.268  -0.390  -0.792  0.00  0.00    -0.473 OA
BRANCH  31  32
ATOM     32  C   LIG    1        6.948  -0.262   0.610  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1        6.469   1.132   1.094  0.00  0.00    +0.045 C 
ATOM     34  C   LIG    1        7.932   1.451   1.449  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        8.177  -0.065   1.535  0.00  0.00    +0.045 C 
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 7