REMARK  Name = BDB015370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.286  -2.737  -0.780  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.327  -1.734  -1.550  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.098  -1.657  -2.771  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        1.162  -2.679  -2.919  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        1.150  -3.538  -1.658  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -1.300  -0.965  -0.980  0.00  0.00    -0.299 N 
ATOM      7  C   LIG    1       -1.712   0.256  -1.705  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.526   1.214  -0.789  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1       -1.594   1.873   0.243  0.00  0.00    +0.026 C 
ATOM     10  N   LIG    1       -3.712   0.514  -0.221  0.00  0.00    -0.294 NA
ATOM     11  C   LIG    1       -3.291  -0.711   0.497  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -2.475  -1.657  -0.405  0.00  0.00    +0.123 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.500   1.375   0.670  0.00  0.00    +0.057 C 
ATOM     14  C   LIG    1       -5.180   2.515  -0.135  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -6.451   2.229   0.693  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -5.928   0.784   0.838  0.00  0.00    +0.019 C 
ENDBRANCH  10  13
ENDBRANCH   2   6
BRANCH   1  17
ATOM     17  S   LIG    1        0.780  -2.591   0.825  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1        1.250  -3.896   1.250  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -0.203  -1.884   1.620  0.00  0.00    -0.150 OA
BRANCH  17  23
ATOM     20  C   LIG    1        4.434   0.162   0.508  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1        3.133   0.673   0.367  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.022  -0.166   0.466  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        2.206  -1.530   0.696  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1        3.489  -2.056   0.857  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        4.596  -1.211   0.758  0.00  0.00    +0.006 A 
BRANCH  20  27
ATOM     26  C   LIG    1        5.670   2.118   1.509  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        5.656   1.058   0.405  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        5.764   1.707  -0.977  0.00  0.00    +0.012 C 
ENDBRANCH  20  27
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 5