REMARK  Name = BDB034816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.332  -0.378  -0.364  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        2.104  -0.662  -0.982  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.921  -0.282  -0.323  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.937   0.362   0.916  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.305   0.673   1.438  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1       -1.236   0.269   0.617  0.00  0.00    +0.165 A 
ATOM      7  C   LIG    1        2.180   0.637   1.520  0.00  0.00    +0.029 A 
ATOM      8  S   LIG    1       -0.717  -0.491  -0.818  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        3.365   0.263   0.876  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.744  -2.354   0.703  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        5.628  -1.601  -0.567  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        4.570  -0.762  -1.008  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        4.984  -0.327  -2.248  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        4.425   0.571  -3.277  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        6.195  -0.877  -2.533  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        6.604  -1.673  -1.481  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -2.594   0.367   0.727  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -3.138  -0.033  -0.027  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -3.218   0.907   1.827  0.00  0.00    +0.223 C 
ATOM     20  O   LIG    1       -2.669   1.371   2.822  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.742   0.961   1.727  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1       -5.355  -0.321   1.193  0.00  0.00    +0.129 C 
ATOM     23  N   LIG    1       -5.314  -0.156  -0.294  0.00  0.00    -0.269 N 
ATOM     24  C   LIG    1       -5.330   1.309  -0.598  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -5.229   2.019   0.748  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.806  -1.077  -1.139  0.00  0.00    +0.169 C 
ATOM     27  N   LIG    1       -6.222  -1.871  -1.870  0.00  0.00    -0.174 NA
ENDBRANCH  23  26
ENDBRANCH  19  21
ENDBRANCH   6  17
TORSDOF 4