REMARK  Name = BDB055388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.228   1.396   0.593  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -2.369   0.591   0.351  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -2.030  -0.727   0.240  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -2.906  -1.751   0.022  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1       -2.597  -2.713  -0.013  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.256  -1.477  -0.080  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1       -4.674  -0.032  -0.013  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -5.060  -2.398  -0.192  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1       -0.392  -1.039   0.413  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1       -3.748   0.925   0.211  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.057   0.647   0.619  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -1.261   2.738   0.766  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1       -0.436   3.194   1.168  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -2.116   3.207   1.052  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1       -6.062   0.419  -0.177  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1       -6.545   1.423   0.322  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -6.777  -0.345  -1.015  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.671   0.054  -1.025  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1        1.294   1.129   0.871  0.00  0.00    +0.202 C 
ATOM     20  O   LIG    1        1.527   2.146   1.528  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1        2.475   0.413   0.321  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.586   0.215   1.148  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.720  -0.435   0.654  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.765  -0.876  -0.678  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        3.650  -0.659  -1.505  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        2.515  -0.009  -1.013  0.00  0.00    +0.012 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.982  -1.599  -1.207  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        7.137  -1.228  -0.587  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        5.888  -2.948  -1.050  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.190  -1.390  -2.537  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 6