REMARK  Name = BDB032017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.853  -0.230  -0.512  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.330  -0.041   0.104  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.396  -0.411  -0.608  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.744  -0.332  -0.226  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.544  -0.837  -1.273  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.656  -1.216  -2.301  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.017  -1.790  -3.564  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.760  -0.932  -1.294  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.357  -0.950  -1.872  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.132  -1.112  -2.429  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.983  -0.754  -1.756  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.192   0.171   1.059  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -3.882  -0.927   1.883  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -4.361  -0.396   3.230  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -5.266   0.823   3.067  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -4.584   1.919   2.249  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.104   1.397   0.898  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1       -5.582   1.326   4.360  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1       -6.203   2.066   4.242  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1        1.959   0.151   0.244  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        1.627   0.509   1.127  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        3.704   0.974   2.421  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        4.214   0.582   1.058  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        3.342   0.193   0.018  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        3.921  -0.165  -1.206  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.314  -0.131  -1.414  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.175   0.265  -0.378  0.00  0.00    +0.071 A 
ATOM     28  N   LIG    1        7.512   0.315  -0.526  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        8.029  -0.033  -1.725  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.267  -0.437  -2.804  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        5.888  -0.486  -2.643  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        5.607   0.613   0.837  0.00  0.00    +0.033 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4