REMARK  Name = BDB003155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.053   0.160   1.269  0.00  0.00    -0.253 N 
ATOM      2  H   LIG    1       -1.012  -0.120   1.456  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1        0.689   0.708   2.284  0.00  0.00    +0.230 C 
ATOM      4  O   LIG    1        1.762   1.295   2.173  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        1.710   0.226  -1.757  0.00  0.00    +0.130 A 
ATOM      6  S   LIG    1        0.253  -0.417  -2.405  0.00  0.00    +0.035 S 
ATOM      7  N   LIG    1       -0.534  -0.417  -0.937  0.00  0.00    -0.174 NA
ATOM      8  C   LIG    1        0.326   0.072  -0.043  0.00  0.00    +0.230 A 
ATOM      9  N   LIG    1        1.588   0.435  -0.461  0.00  0.00    -0.205 NA
BRANCH   5  14
ATOM     10  C   LIG    1        6.603   1.292  -4.685  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.330   1.002  -3.951  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        4.187   0.578  -4.633  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.999   0.320  -3.938  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        2.924   0.482  -2.546  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.079   0.913  -1.874  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        5.267   1.170  -2.566  0.00  0.00    +0.004 A 
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        0.060   0.495   3.653  0.00  0.00    +0.172 C 
BRANCH  17  18
ATOM     18  S   LIG    1       -1.287   1.680   3.959  0.00  0.00    -0.097 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.700   0.756   3.389  0.00  0.00    +0.098 A 
ATOM     20  N   LIG    1       -2.510  -0.208   2.458  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1       -3.584  -0.896   2.019  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -4.888  -0.650   2.498  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.976  -1.395   2.013  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -5.778  -2.379   1.046  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.496  -2.623   0.567  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.052   0.351   3.461  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -3.417  -1.889   1.062  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.947   1.066   3.909  0.00  0.00    +0.035 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5