REMARK  Name = BDB003140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.048   1.580   2.031  0.00  0.00    +0.179 A 
ATOM      2  N   LIG    1        0.027   0.899   2.581  0.00  0.00    -0.192 NA
ATOM      3  C   LIG    1       -0.929   0.549   1.727  0.00  0.00    +0.237 A 
ATOM      4  N   LIG    1       -1.013   0.867   0.435  0.00  0.00    -0.218 NA
ATOM      5  C   LIG    1        0.014   1.574  -0.072  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -0.027   1.909  -1.531  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1        1.079   1.968   0.706  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1   9
ATOM      8  N   LIG    1        2.967   1.080   3.196  0.00  0.00    -0.181 NA
ATOM      9  N   LIG    1        2.105   1.940   2.884  0.00  0.00    -0.134 NA
BRANCH   8  10
ATOM     10  C   LIG    1        2.862  -0.349   2.829  0.00  0.00    +0.201 C 
BRANCH  10  15
ATOM     11  C   LIG    1        4.345  -0.298  -0.699  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        3.466  -1.172  -1.354  0.00  0.00    +0.158 A 
ATOM     13  C   LIG    1        2.427  -1.796  -0.668  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        2.247  -1.541   0.691  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.094  -0.651   1.365  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        4.155  -0.050   0.664  0.00  0.00    +0.055 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.309   1.050  -0.808  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.330   0.262  -1.470  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        3.634  -1.413  -2.692  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1        3.011  -2.104  -2.967  0.00  0.00    +0.292 HD
ENDBRANCH  12  19
ENDBRANCH  10  15
ENDBRANCH   8  10
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  N   LIG    1       -1.995  -0.117   2.319  0.00  0.00    -0.184 N 
ATOM     22  H   LIG    1       -1.907  -0.207   3.325  0.00  0.00    +0.177 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -2.476  -1.529   1.581  0.00  0.00    +0.075 S 
ATOM     24  O   LIG    1       -3.298  -2.223   2.553  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -1.329  -2.196   0.998  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.565  -0.986   0.289  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1       -3.165  -1.075  -1.046  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1       -4.042  -0.672  -2.055  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.315  -0.180  -1.736  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1       -6.267   0.220  -2.825  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -5.713  -0.123  -0.393  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.841  -0.524   0.621  0.00  0.00    +0.029 A 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 8