REMARK  Name = BDB052465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.252  -1.256   0.707  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1        0.540  -0.408   1.687  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -0.646   0.414   1.130  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -1.581  -0.412   0.336  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1       -1.183  -1.824   0.166  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.306  -1.887  -0.249  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.933  -0.199   0.553  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -3.697   0.351  -0.482  0.00  0.00    +0.107 A 
ATOM      9  C   LIG    1       -5.056   0.610  -0.387  0.00  0.00    +0.180 A 
ATOM     10  N   LIG    1       -5.543   1.149  -1.547  0.00  0.00    -0.217 NA
ATOM     11  C   LIG    1       -4.505   1.223  -2.349  0.00  0.00    +0.199 A 
ATOM     12  N   LIG    1       -5.782   0.353   0.720  0.00  0.00    -0.233 NA
ATOM     13  C   LIG    1       -5.059  -0.181   1.731  0.00  0.00    +0.130 A 
ATOM     14  N   LIG    1       -3.370   0.755  -1.750  0.00  0.00    -0.342 N 
ATOM     15  H   LIG    1       -2.444   0.705  -2.149  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -3.689  -0.468   1.709  0.00  0.00    +0.059 A 
ATOM     17 BR   LIG    1       -2.944  -1.215   3.289  0.00  0.00    -0.047 Br
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        2.305  -0.482   0.003  0.00  0.00    +0.181 C 
BRANCH  18  20
ATOM     19  O   LIG    1        3.068  -2.575  -1.024  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        3.228  -1.361  -0.865  0.00  0.00    +0.233 C 
ATOM     21  N   LIG    1        4.285  -0.789  -1.515  0.00  0.00    -0.264 N 
ATOM     22  H   LIG    1        4.861  -1.421  -2.052  0.00  0.00    +0.157 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.622   0.530  -1.512  0.00  0.00    +0.164 A 
ATOM     24  S   LIG    1        6.015   0.900  -2.427  0.00  0.00    -0.061 S 
ATOM     25  C   LIG    1        5.833   2.551  -1.998  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        4.722   2.697  -1.194  0.00  0.00    +0.120 A 
ATOM     27  N   LIG    1        4.027   1.533  -0.920  0.00  0.00    -0.233 NA
ENDBRANCH  21  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4