REMARK  Name = BDB033458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.045  -0.360  -0.499  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1        0.690   0.593  -0.592  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.438  -0.442  -0.814  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        3.454   0.172  -0.064  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        4.792   0.164  -0.477  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        5.541   0.867   0.511  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        4.665   1.279   1.490  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        5.124  -0.479  -1.689  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        4.117  -1.077  -2.452  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1        3.412   0.854   1.136  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1        2.573   0.970   1.698  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        2.792  -1.045  -2.025  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1        6.950   1.112   0.512  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        8.093   1.314   0.508  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        0.579  -0.995   1.001  0.00  0.00    +0.107 S 
ATOM     16  O   LIG    1        0.892   0.009   2.000  0.00  0.00    -0.147 OA
ATOM     17  O   LIG    1        1.021  -2.365   1.117  0.00  0.00    -0.147 OA
BRANCH  15  20
ATOM     18  C   LIG    1       -3.259  -0.505   0.577  0.00  0.00    +0.203 A 
ATOM     19  O   LIG    1       -1.966  -0.094   0.387  0.00  0.00    -0.421 OA
ATOM     20  C   LIG    1       -1.188  -1.072   0.979  0.00  0.00    +0.281 A 
ATOM     21  C   LIG    1       -2.073  -2.006   1.481  0.00  0.00    +0.182 A 
ATOM     22  N   LIG    1       -3.371  -1.644   1.227  0.00  0.00    -0.219 NA
BRANCH  18  24
ATOM     23  C   LIG    1       -5.726  -0.218   0.322  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -4.342   0.386   0.027  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -4.257   1.773   0.685  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -4.177   0.525  -1.495  0.00  0.00    +0.020 C 
ENDBRANCH  18  24
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 5