REMARK  Name = BDB034841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.125   1.791   2.424  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.559   1.479   1.455  0.00  0.00    +0.271 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.583   0.435   1.520  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        2.553   0.019   0.545  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        3.260  -1.044   1.100  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        4.256  -1.756   0.541  0.00  0.00    -0.237 NA
ATOM      7  C   LIG    1        4.569  -1.336  -0.705  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        3.958  -0.291  -1.383  0.00  0.00    +0.020 A 
ATOM      9  N   LIG    1        2.775  -1.269   2.356  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1        3.129  -1.987   2.970  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        2.927   0.409  -0.756  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        1.767  -0.386   2.626  0.00  0.00    +0.098 A 
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  N   LIG    1        0.485   2.080   0.230  0.00  0.00    -0.155 NA
ATOM     14  C   LIG    1       -0.661   2.058  -0.351  0.00  0.00    +0.154 C 
ATOM     15  N   LIG    1       -1.873   1.448  -0.076  0.00  0.00    -0.281 N 
ATOM     16  C   LIG    1       -2.994   1.963  -0.871  0.00  0.00    +0.124 C 
ATOM     17  C   LIG    1       -2.424   2.358  -2.227  0.00  0.00    +0.096 C 
ATOM     18  S   LIG    1       -0.776   3.014  -1.847  0.00  0.00    -0.091 S 
BRANCH  15  19
ATOM     19  C   LIG    1       -1.994   0.080   0.259  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -1.103  -0.887  -0.229  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -1.241  -2.233   0.119  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.277  -2.634   0.958  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.174  -1.690   1.450  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.033  -0.344   1.103  0.00  0.00    +0.023 A 
ENDBRANCH  15  19
ENDBRANCH   2  13
TORSDOF 3