REMARK  Name = BDB064272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.236  -0.152   0.539  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1       -2.544   0.791   0.720  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -3.273  -0.986   0.168  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -4.485  -0.405   0.103  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1       -5.558  -1.161  -0.248  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -5.417  -2.501  -0.547  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1       -6.437  -3.282  -0.924  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1       -4.149  -3.013  -0.462  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1       -3.072  -2.284  -0.107  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1       -6.850  -0.439  -0.288  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -6.884   0.929  -0.637  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -8.112   1.614  -0.673  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -9.317   0.983  -0.365  0.00  0.00    +0.078 A 
ATOM     14  N   LIG    1      -10.446   1.782  -0.443  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1      -10.096   2.996  -0.801  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1       -9.289  -0.377  -0.009  0.00  0.00    +0.029 A 
ATOM     17  S   LIG    1       -8.427   3.263  -1.067  0.00  0.00    -0.075 S 
ATOM     18  C   LIG    1       -8.066  -1.066   0.028  0.00  0.00    +0.012 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        1.871  -0.395   1.150  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        1.110   0.753   1.310  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1       -0.228   0.818   1.108  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -0.876  -0.306   0.727  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -0.189  -1.500   0.550  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        1.190  -1.548   0.766  0.00  0.00    +0.010 A 
BRANCH  19  25
ATOM     25  C   LIG    1        3.353  -0.403   1.422  0.00  0.00    +0.121 C 
BRANCH  25  29
ATOM     26  N   LIG    1        6.654   0.663  -0.883  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.465  -0.180  -1.240  0.00  0.00    +0.124 C 
ATOM     28  C   LIG    1        4.152   0.451  -0.744  0.00  0.00    +0.102 C 
ATOM     29  N   LIG    1        4.081   0.667   0.720  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1        5.434   0.824   1.301  0.00  0.00    +0.102 C 
ATOM     31  C   LIG    1        6.428   1.499   0.341  0.00  0.00    +0.124 C 
BRANCH  26  33
ATOM     32  C   LIG    1        9.288   1.136  -1.248  0.00  0.00    +0.215 C 
ATOM     33  S   LIG    1        8.126  -0.182  -0.953  0.00  0.00    +0.029 S 
ATOM     34  O   LIG    1        8.369  -0.746   0.357  0.00  0.00    -0.158 OA
ATOM     35  O   LIG    1        8.099  -1.016  -2.136  0.00  0.00    -0.158 OA
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 6