REMARK  Name = BDB012120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.637  -0.970  -0.590  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.627  -1.377   0.279  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -0.809  -2.305   1.444  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        0.662  -0.797  -0.074  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.544   0.018  -1.185  0.00  0.00    +0.058 A 
ATOM      6  S   LIG    1       -1.041   0.106  -1.790  0.00  0.00    -0.100 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.937  -1.057   0.614  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.888  -0.071   0.471  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.565   0.847   0.192  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.131  -2.070   1.279  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.109  -0.099   1.243  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.194   0.587   0.469  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.158   2.084   0.518  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        4.249   2.692   1.076  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.180   2.747  -0.111  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.137   3.757  -0.063  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.198   2.132  -0.797  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        8.223   3.016  -1.436  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.221   0.793  -0.864  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.195  -0.012  -0.215  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        6.356  -1.497  -0.389  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -3.119  -1.367  -0.595  0.00  0.00    +0.029 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.043  -0.127  -0.345  0.00  0.00    -0.003 C 
ATOM     24  C   LIG    1       -3.697   0.558   1.002  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.873   1.270   1.680  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -5.876   1.868   0.696  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -6.430   0.789  -0.247  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -5.542  -0.454  -0.395  0.00  0.00    +0.005 C 
BRANCH  26  29
ATOM     29  N   LIG    1       -5.263   2.973  -0.045  0.00  0.00    -0.327 NA
ATOM     30  H   LIG    1       -4.476   2.639  -0.599  0.00  0.00    +0.118 HD
ATOM     31  H   LIG    1       -5.934   3.354  -0.711  0.00  0.00    +0.118 HD
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1       -4.304  -3.389  -1.633  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -3.444  -2.156  -1.891  0.00  0.00    +0.005 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7