REMARK  Name = BDB012143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.813  -1.197   1.309  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.406  -1.854   0.856  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -0.370  -3.226   0.252  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -1.536  -1.058   1.048  0.00  0.00    +0.072 A 
ATOM      5  S   LIG    1       -1.089   0.476   1.703  0.00  0.00    -0.081 S 
ATOM      6  C   LIG    1        0.547   0.055   1.821  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.870  -1.304   0.805  0.00  0.00    -0.321 N 
ATOM      8  C   LIG    1       -3.446  -0.753  -0.442  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1       -3.668  -2.022  -1.279  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -4.113  -3.056  -0.253  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1       -3.437  -2.635   1.053  0.00  0.00    +0.106 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -4.779   0.009  -0.172  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1       -4.647   1.163   0.841  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.217   2.455   0.157  0.00  0.00    +0.081 C 
ATOM     15  N   LIG    1       -5.188   2.922  -0.839  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -4.687   3.366  -1.607  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -6.074   1.876  -1.344  0.00  0.00    +0.081 C 
ATOM     18  C   LIG    1       -5.367   0.534  -1.504  0.00  0.00    +0.020 C 
ENDBRANCH   8  12
ENDBRANCH   4   7
BRANCH   1  21
ATOM     19  N   LIG    1        3.224  -1.032   0.914  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        4.068  -1.588   0.940  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        2.149  -1.792   1.309  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        2.347  -2.959   1.643  0.00  0.00    -0.270 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.184   0.021  -0.084  0.00  0.00    +0.145 C 
BRANCH  23  30
ATOM     24  C   LIG    1        7.911   3.378   0.346  0.00  0.00    +0.063 C 
ATOM     25  C   LIG    1        6.748   2.451   0.178  0.00  0.00    +0.016 A 
ATOM     26  N   LIG    1        5.587   2.778   0.834  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1        5.540   3.617   1.399  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1        4.432   2.040   0.789  0.00  0.00    +0.254 A 
ATOM     29  O   LIG    1        3.425   2.398   1.391  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        4.471   0.786  -0.035  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        5.614   0.475  -0.687  0.00  0.00    -0.039 A 
ATOM     32  C   LIG    1        5.815  -0.739  -1.552  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1        6.782   1.336  -0.567  0.00  0.00    +0.024 A 
ENDBRANCH  23  30
ENDBRANCH  19  23
ENDBRANCH   1  21
TORSDOF 5