REMARK  Name = BDB030305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.670   0.971  -0.561  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       -2.540   0.179  -0.604  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -1.294   0.719  -1.141  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.064   0.172  -0.403  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1       -0.035  -1.299  -0.345  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        1.127  -2.063  -0.322  0.00  0.00    +0.247 C 
ATOM      7  O   LIG    1        1.148  -3.265  -0.572  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.302  -1.991  -0.601  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1       -2.520  -1.200  -0.112  0.00  0.00    +0.130 C 
ATOM     10  O   LIG    1       -3.707   2.118  -0.987  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.413  -1.410   0.012  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.501  -1.608  -0.842  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        4.727  -1.021  -0.533  0.00  0.00    +0.051 A 
ATOM     14  N   LIG    1        5.819  -1.216  -1.405  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1        5.711  -1.781  -2.236  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        7.084  -0.691  -1.214  0.00  0.00    +0.257 A 
ATOM     17  C   LIG    1        7.263   0.120  -0.015  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        6.210   0.326   0.859  0.00  0.00    +0.034 A 
ATOM     19  S   LIG    1        6.654   1.302   2.181  0.00  0.00    -0.096 S 
ATOM     20  C   LIG    1        8.258   1.461   1.606  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        8.452   0.780   0.424  0.00  0.00    +0.021 A 
ATOM     22  O   LIG    1        7.987  -0.903  -2.018  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        4.881  -0.244   0.637  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        3.789  -0.078   1.497  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        2.559  -0.667   1.190  0.00  0.00    +0.014 A 
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  O   LIG    1       -4.716   0.326   0.014  0.00  0.00    -0.445 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -6.892  -0.080   0.844  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -6.005   0.974   0.164  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1       -5.910   2.198   1.081  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.617   1.322  -1.198  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 3