REMARK  Name = BDB031524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.259  -2.321   0.362  0.00  0.00    +0.189 C 
ATOM      2  C   LIG    1        0.230  -1.715  -0.608  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -0.789  -2.748  -0.879  0.00  0.00    -0.295 NA
ATOM      4  C   LIG    1       -0.036  -4.007  -0.779  0.00  0.00    +0.088 C 
ATOM      5  C   LIG    1        0.931  -3.815   0.377  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1        2.596  -2.172  -0.120  0.00  0.00    -0.486 OA
BRANCH   6  10
ATOM      7  C   LIG    1        4.812   1.249   0.351  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.357   0.162  -0.261  0.00  0.00    -0.247 NA
ATOM      9  C   LIG    1        4.550  -0.921  -0.371  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1        3.237  -0.987   0.090  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        2.716   0.147   0.706  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        3.513   1.286   0.841  0.00  0.00    +0.036 A 
BRANCH   7  16
ATOM     13  C   LIG    1        7.915   3.357  -0.110  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        6.967   2.281  -0.022  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.138   1.402  -0.505  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        5.694   2.454   0.480  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        5.287   3.494   0.985  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   3  18
ATOM     18  C   LIG    1       -1.910  -2.707   0.072  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.834  -1.534  -0.160  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -3.221  -0.693   0.894  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.094   0.355   0.631  0.00  0.00    +0.072 A 
ATOM     22  N   LIG    1       -4.514   1.236   1.663  0.00  0.00    -0.320 N 
ATOM     23  H   LIG    1       -4.179   1.111   2.608  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.388   2.305   1.474  0.00  0.00    +0.260 A 
ATOM     25  C   LIG    1       -5.868   2.483   0.118  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -5.458   1.625  -0.875  0.00  0.00    +0.167 A 
ATOM     27  O   LIG    1       -6.006   1.940  -2.071  0.00  0.00    -0.461 OA
ATOM     28  C   LIG    1       -6.790   3.034  -1.838  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1       -6.738   3.405  -0.508  0.00  0.00    +0.055 A 
ATOM     30  O   LIG    1       -5.714   3.033   2.405  0.00  0.00    -0.267 OA
ATOM     31  C   LIG    1       -4.556   0.517  -0.686  0.00  0.00    +0.130 A 
ATOM     32  N   LIG    1       -4.217  -0.271  -1.723  0.00  0.00    -0.249 NA
ATOM     33  C   LIG    1       -3.362  -1.280  -1.432  0.00  0.00    +0.116 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5