REMARK  Name = BDB064412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.376  -2.584   1.723  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.954  -1.610   1.006  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        3.283  -1.417   1.096  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1        4.059  -2.191   1.932  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.390  -3.166   2.637  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.068  -3.387   2.541  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        5.517  -1.988   2.113  0.00  0.00    +0.422 C 
ATOM      8  F   LIG    1        6.136  -3.061   2.687  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        5.819  -0.928   2.912  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        6.182  -1.781   0.939  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.012  -2.849   1.652  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.203  -3.626   2.259  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  N   LIG    1       -4.383   1.048  -1.211  0.00  0.00    -0.177 NA
ATOM     14  C   LIG    1       -4.565  -0.376  -0.805  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1       -3.344  -0.991  -0.152  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.091  -0.362  -0.207  0.00  0.00    -0.040 A 
ATOM     17  C   LIG    1       -0.977  -0.963   0.405  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -1.074  -2.193   1.062  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -2.327  -2.821   1.079  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -1.948   0.985  -0.868  0.00  0.00    +0.052 C 
ATOM     21  C   LIG    1       -3.448  -2.232   0.485  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.066   1.245  -1.877  0.00  0.00    +0.114 C 
BRANCH  13  24
ATOM     23  C   LIG    1       -5.546   3.423  -1.765  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1       -5.728   1.672  -2.038  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1       -5.550   1.395  -3.447  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1       -6.920   1.245  -1.336  0.00  0.00    -0.158 OA
ENDBRANCH  13  24
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   3  27
ATOM     27  N   LIG    1        3.871  -0.369   0.364  0.00  0.00    -0.328 N 
ATOM     28  H   LIG    1        4.680  -0.715  -0.153  0.00  0.00    +0.147 HD
BRANCH  27  29
ATOM     29  C   LIG    1        2.960   0.365  -0.518  0.00  0.00    +0.104 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.696   1.529  -1.185  0.00  0.00    +0.033 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.128   2.638  -0.224  0.00  0.00    +0.079 C 
BRANCH  31  32
ATOM     32  N   LIG    1        2.991   3.333   0.375  0.00  0.00    -0.330 NA
ATOM     33  H   LIG    1        2.539   2.712   1.048  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1        3.340   4.115   0.931  0.00  0.00    +0.118 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   3  27
TORSDOF 9