REMARK  Name = BDB063932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.369  -0.876  -0.550  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.535  -1.741  -1.575  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.399  -2.060  -1.974  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.674  -2.254  -1.915  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.933  -3.090  -2.757  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.594  -1.546  -0.983  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.916  -1.757  -0.995  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.860  -0.718  -0.161  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.914  -1.127  -0.116  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.804   0.207   0.305  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.816   0.751   1.117  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.932   0.009   1.504  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.846   0.678   2.302  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.424   1.904   2.514  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.042  -1.323   1.062  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.938   2.337   1.785  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.038  -1.874   0.254  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.418  -0.236   0.029  0.00  0.00    -0.304 N 
ATOM     19  H   LIG    1       -1.064   0.414   0.732  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.484   0.391  -0.767  0.00  0.00    +0.182 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.003   1.706  -1.397  0.00  0.00    +0.327 C 
ATOM     22  O   LIG    1       -2.377   2.114  -2.490  0.00  0.00    -0.249 OA
BRANCH  21  24
ATOM     23  C   LIG    1       -0.654   3.599  -1.094  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1       -1.154   2.372  -0.560  0.00  0.00    -0.467 OA
ENDBRANCH  21  24
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -3.700   0.685   0.124  0.00  0.00    +0.036 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.351  -0.558   0.764  0.00  0.00    -0.015 C 
ATOM     27  C   LIG    1       -4.872  -1.548  -0.279  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -5.497  -0.125   1.682  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7