REMARK  Name = BDB033743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.725  -0.679  -1.042  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -1.424  -1.271  -2.260  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -0.087  -1.394  -2.564  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1        0.908  -0.984  -1.755  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.552  -0.448  -0.584  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -0.729  -0.290  -0.211  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.929  -0.231   2.695  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -4.699  -0.240   1.185  0.00  0.00    +0.003 C 
ATOM      9  C   LIG    1       -3.205  -0.321   0.847  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1       -3.045  -0.494  -0.606  0.00  0.00    -0.314 N 
ATOM     11  C   LIG    1       -3.921   0.316  -1.472  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -4.567   1.468  -0.706  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -5.343   0.987   0.521  0.00  0.00    +0.006 C 
ENDBRANCH   1  10
BRANCH   2  14
ATOM     14  C   LIG    1       -2.397  -1.784  -3.166  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -3.163  -2.189  -3.939  0.00  0.00    -0.191 NA
ENDBRANCH   2  14
BRANCH   5  16
ATOM     16  N   LIG    1        1.490   0.006   0.338  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        1.002   0.360   1.148  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.887  -0.031   0.404  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        3.699  -0.630  -0.566  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        5.094  -0.615  -0.458  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        5.694   0.023   0.626  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        4.914   0.625   1.611  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.521   0.600   1.490  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        7.461   0.041   0.755  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1        7.975  -1.178   0.179  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        7.822   0.491   2.080  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        7.860   1.314  -0.275  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1        7.070   1.649  -0.826  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        8.287   2.061   0.275  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 6