REMARK  Name = BDB064537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.156  -0.983  -1.464  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.044  -1.441  -0.601  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.064  -0.372  -0.475  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.655   0.068  -1.765  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.248  -0.237  -2.899  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.744  -0.062  -2.554  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.821   0.113   0.211  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.731   0.205   1.014  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.552  -0.154   0.454  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.480  -0.011   1.252  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.373  -0.605  -0.869  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.542  -0.669  -1.643  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.778  -0.310  -1.108  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.170   1.402   2.878  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.047   0.874   2.152  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.111   0.926   2.546  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.130   0.510   0.825  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.167   0.510   0.173  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.986  -0.513  -2.006  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.058   0.063  -1.111  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.970  -0.778  -0.468  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.876  -2.109  -0.624  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.983  -0.259   0.340  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -5.113   1.123   0.519  0.00  0.00    +0.090 A 
ATOM     25  N   LIG    1       -6.119   1.688   1.324  0.00  0.00    -0.245 NA
ATOM     26  C   LIG    1       -6.951   0.882   1.918  0.00  0.00    +0.103 A 
ATOM     27  C   LIG    1       -6.887  -0.639   1.781  0.00  0.00    +0.270 A 
ATOM     28  O   LIG    1       -7.693  -1.353   2.359  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -8.043   1.429   2.789  0.00  0.00    +0.071 C 
ATOM     30  C   LIG    1       -4.214   1.970  -0.129  0.00  0.00    +0.030 A 
ATOM     31  N   LIG    1       -5.883  -1.119   0.982  0.00  0.00    -0.317 N 
ATOM     32  H   LIG    1       -5.804  -2.121   0.863  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -3.199   1.450  -0.940  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4