REMARK  Name = BDB015476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.248   0.152   0.155  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.686  -0.835   0.857  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.405  -0.640   1.184  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.324   0.442   0.871  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.289   1.399   0.148  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.605   1.297  -0.245  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.523   2.589  -0.194  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.303   3.127   0.761  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.088   4.245   0.531  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.885   4.763   1.633  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.126   4.895  -0.701  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.794   5.899  -0.935  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.282   4.289  -1.783  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.339   4.944  -3.126  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.539   3.203  -1.512  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.582  -0.100  -0.232  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        4.180   0.714  -0.370  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.763  -1.165  -1.521  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.575  -1.120  -2.346  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        5.061  -0.849  -2.079  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.880  -2.750  -0.690  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.259  -5.217  -0.990  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.172  -3.868  -1.684  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  O   LIG    1       -0.167  -1.653   1.945  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.540  -1.748   1.872  0.00  0.00    +0.152 A 
ATOM     26  C   LIG    1       -2.356  -1.019   2.752  0.00  0.00    +0.094 A 
ATOM     27  C   LIG    1       -3.746  -1.161   2.677  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -4.314  -2.028   1.744  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.498  -2.765   0.884  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -2.103  -2.647   0.947  0.00  0.00    -0.007 A 
ATOM     31  C   LIG    1       -1.241  -3.444   0.008  0.00  0.00    +0.047 C 
BRANCH  26  32
ATOM     32  C   LIG    1       -1.797  -0.118   3.716  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -1.363   0.627   4.495  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8