REMARK  Name = BDB003401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.901  -0.688   0.146  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1       -0.266  -1.210   0.346  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -0.377  -2.694   0.276  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.611  -3.327   0.412  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.699  -4.726   0.338  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.553  -5.492   0.127  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.683  -4.865  -0.010  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.838  -2.548   0.637  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1       -3.929  -3.102   0.761  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -2.739  -1.056   0.727  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        0.772  -3.473   0.064  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.532  -0.480   0.635  0.00  0.00    +0.057 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        1.158   0.910   0.161  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1        1.013   1.392   1.521  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1        0.411   1.526  -0.918  0.00  0.00    -0.146 OA
BRANCH  13  19
ATOM     16  C   LIG    1        5.573   1.255  -0.980  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        5.162   1.583   0.314  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        3.813   1.480   0.672  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        2.880   1.044  -0.271  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        3.278   0.719  -1.569  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        4.626   0.825  -1.916  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1        7.856   1.769  -0.553  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        6.855   1.311  -1.454  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH  10  24
ATOM     24  N   LIG    1       -3.945  -0.424   0.983  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1       -4.701  -1.100   1.130  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.420   0.832   0.556  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -5.582   1.334   1.165  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -6.091   2.591   0.829  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -5.435   3.365  -0.116  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1       -4.280   2.899  -0.731  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -3.776   1.638  -0.390  0.00  0.00    +0.027 A 
BRANCH  29  32
ATOM     32  O   LIG    1       -5.958   4.587  -0.417  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1       -5.382   5.016  -1.070  0.00  0.00    +0.292 HD
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 6