REMARK  Name = BDB034914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.228  -0.595   0.658  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.522   0.387   1.033  0.00  0.00    +0.150 C 
ATOM      3  N   LIG    1       -1.848   0.554   0.657  0.00  0.00    -0.305 N 
ATOM      4  C   LIG    1       -2.344   1.916   0.881  0.00  0.00    +0.118 C 
ATOM      5  C   LIG    1       -1.661   2.432   2.139  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1        0.006   1.738   2.045  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.401  -0.223  -0.465  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1       -3.876   0.084  -0.796  0.00  0.00    +0.135 C 
ATOM      9  C   LIG    1       -4.317  -1.148  -1.572  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -3.715  -2.290  -0.773  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -2.425  -1.734  -0.165  0.00  0.00    +0.025 C 
BRANCH   8  12
ATOM     12  O   LIG    1       -4.038   1.267  -1.569  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -3.594   1.137  -2.424  0.00  0.00    +0.210 HD
ENDBRANCH   8  12
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        1.811  -1.046   2.255  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.511  -0.654   1.134  0.00  0.00    +0.271 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.507  -0.266   0.133  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        3.928  -0.195   0.315  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        4.479   0.218  -0.893  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        5.778   0.420  -1.180  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        6.592   0.177  -0.127  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        6.184  -0.238   1.134  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        3.461   0.395  -1.784  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        3.603   0.693  -2.738  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        4.823  -0.432   1.374  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.263   0.108  -1.185  0.00  0.00    +0.098 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4