REMARK  Name = BDB003046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.748   1.011  -1.780  0.00  0.00    -0.272 N 
ATOM      2  C   LIG    1       -1.646   0.649  -1.022  0.00  0.00    +0.240 A 
ATOM      3  N   LIG    1       -0.455   0.210  -1.578  0.00  0.00    -0.256 N 
ATOM      4  C   LIG    1        0.368   0.011  -0.483  0.00  0.00    +0.198 A 
ATOM      5  N   LIG    1       -0.288   0.270   0.627  0.00  0.00    -0.120 NA
ATOM      6  C   LIG    1       -0.305   0.064  -2.976  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -1.403   0.436  -3.769  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -1.331   0.328  -5.167  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.176  -0.156  -5.775  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.908  -0.536  -4.989  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        0.848  -0.430  -3.595  0.00  0.00    +0.027 A 
ATOM     12  N   LIG    1       -1.547   0.673   0.288  0.00  0.00    -0.109 NA
ATOM     13  C   LIG    1       -2.669   0.942  -3.165  0.00  0.00    +0.263 A 
ATOM     14  O   LIG    1       -3.588   1.271  -3.913  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -3.994   1.453  -1.150  0.00  0.00    +0.167 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.035  -0.059   0.623  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1       -4.878   0.296  -0.728  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1       -5.549  -0.453  -1.712  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -6.353  -1.536  -1.360  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.502  -1.881  -0.021  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.851  -1.142   0.969  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -4.111   0.150   2.802  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.400   0.736   1.539  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   4  24
ATOM     24  S   LIG    1        2.042  -0.430  -0.491  0.00  0.00    -0.076 S 
BRANCH  24  25
ATOM     25  C   LIG    1        2.240  -1.010   1.222  0.00  0.00    +0.173 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.692  -1.402   1.454  0.00  0.00    +0.226 C 
ATOM     27  N   LIG    1        4.533  -0.484   2.075  0.00  0.00    -0.301 N 
ATOM     28  C   LIG    1        4.145   0.883   2.432  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1        5.347   1.803   2.613  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        6.336   1.264   3.646  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        6.395  -0.264   3.679  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1        5.907  -0.888   2.377  0.00  0.00    +0.108 C 
ATOM     33  O   LIG    1        4.094  -2.512   1.092  0.00  0.00    -0.275 OA
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6