REMARK  Name = BDB061705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.720  -0.562  -0.288  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        3.056  -0.456   1.012  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        2.102  -0.057   1.881  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        0.797   0.257   1.515  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        0.459   0.156   0.163  0.00  0.00    +0.076 A 
ATOM      6  N   LIG    1       -0.777   0.441  -0.286  0.00  0.00    -0.249 NA
ATOM      7  C   LIG    1       -1.735   0.840   0.599  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -1.462   0.966   1.959  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.185   0.670   2.423  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.435  -0.253  -0.729  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        3.668  -0.961  -1.257  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1        3.263  -1.645  -1.892  0.00  0.00    +0.154 HD
BRANCH  11  18
ATOM     13  C   LIG    1        7.214  -0.750  -0.100  0.00  0.00    +0.043 A 
ATOM     14  N   LIG    1        7.847  -1.599  -0.947  0.00  0.00    -0.257 NA
ATOM     15  C   LIG    1        7.082  -2.223  -1.870  0.00  0.00    +0.151 A 
ATOM     16  C   LIG    1        5.716  -2.042  -1.981  0.00  0.00    +0.162 A 
ATOM     17  F   LIG    1        5.024  -2.693  -2.929  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1        5.056  -1.185  -1.097  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1        5.839  -0.511  -0.157  0.00  0.00    +0.049 A 
BRANCH  13  21
ATOM     20  C   LIG    1        8.522   1.330   0.382  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1        8.070  -0.024   0.906  0.00  0.00    +0.052 C 
ENDBRANCH  13  21
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  C   LIG    1       -3.131   1.165   0.027  0.00  0.00    +0.108 C 
ATOM     23  C   LIG    1       -2.981   2.429  -0.833  0.00  0.00    +0.048 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.670  -0.062  -0.801  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1       -4.855   0.245  -1.739  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -6.160   0.556  -1.000  0.00  0.00    +0.084 C 
ATOM     27  N   LIG    1       -6.193  -0.040   0.348  0.00  0.00    -0.305 NA
ATOM     28  C   LIG    1       -7.567  -0.091   0.850  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1       -5.578  -1.372   0.349  0.00  0.00    +0.084 C 
ATOM     30  C   LIG    1       -4.066  -1.256   0.106  0.00  0.00    +0.022 C 
ENDBRANCH  22  24
BRANCH  22  31
ATOM     31  O   LIG    1       -4.018   1.523   1.099  0.00  0.00    -0.382 OA
ATOM     32  H   LIG    1       -4.869   1.057   0.962  0.00  0.00    +0.211 HD
ENDBRANCH  22  31
ENDBRANCH   7  22
TORSDOF 6