REMARK  Name = BDB053472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.742   0.339  -0.578  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -0.658   0.684  -0.761  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -1.616   0.146   0.059  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.822   0.660  -0.364  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -2.499   1.485  -1.428  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -1.239  -0.726   1.062  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.069  -1.032   1.213  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1       -1.148   1.497  -1.672  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        1.061  -0.493   0.386  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -4.253   0.413   0.182  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -5.393   0.989  -0.329  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -6.429   0.518   0.424  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -7.419   0.727   0.336  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -6.040  -0.327   1.391  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -4.714  -0.390   1.242  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   7  16
ATOM     16  C   LIG    1        0.524  -1.990   2.308  0.00  0.00    +0.436 C 
ATOM     17  F   LIG    1        1.151  -3.083   1.801  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        1.385  -1.400   3.176  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1       -0.518  -2.453   3.051  0.00  0.00    -0.164 F 
ENDBRANCH   7  16
BRANCH   1  20
ATOM     20  N   LIG    1        1.675   0.903  -1.426  0.00  0.00    -0.290 N 
ATOM     21  H   LIG    1        1.250   1.524  -2.113  0.00  0.00    +0.154 HD
BRANCH  20  26
ATOM     22  C   LIG    1        6.432  -0.491  -0.530  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        5.246   0.170  -1.137  0.00  0.00    +0.049 A 
ATOM     24  N   LIG    1        5.435   0.989  -2.171  0.00  0.00    -0.214 NA
ATOM     25  S   LIG    1        3.971   1.588  -2.654  0.00  0.00    +0.027 S 
ATOM     26  C   LIG    1        3.022   0.760  -1.480  0.00  0.00    +0.091 A 
ATOM     27  C   LIG    1        3.889   0.009  -0.710  0.00  0.00    +0.055 A 
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 4