REMARK  Name = BDB059216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.071   3.700  -0.225  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.676   2.385  -0.069  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.841   1.604  -0.056  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.766   0.190   0.095  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.541  -0.355   0.220  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.658   0.543   0.189  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.950   2.392  -0.208  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.570   1.844   0.057  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.475   3.631  -0.302  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.321   5.625  -1.643  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.192   4.912  -0.295  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.474   5.882   0.854  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -1.933   0.047   0.309  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -2.614   0.773   0.076  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.361  -1.246  -0.218  0.00  0.00    +0.140 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.877  -1.445   0.014  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1       -4.346  -2.821  -0.524  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -5.878  -2.963  -0.374  0.00  0.00    +0.115 C 
ATOM     19  N   LIG    1       -6.447  -2.165   0.721  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1       -7.342  -2.567   1.007  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.537  -2.097   1.861  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -4.254  -1.331   1.510  0.00  0.00    +0.054 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -3.956  -3.010  -1.885  0.00  0.00    -0.388 OA
ATOM     24  H   LIG    1       -4.418  -3.793  -2.231  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
BRANCH  16  25
ATOM     25  O   LIG    1       -4.556  -0.375  -0.689  0.00  0.00    -0.384 OA
ATOM     26  H   LIG    1       -5.505  -0.471  -0.469  0.00  0.00    +0.210 HD
ENDBRANCH  16  25
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  27
ATOM     27  N   LIG    1        2.911  -0.612   0.121  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        2.745  -1.611   0.056  0.00  0.00    +0.148 HD
BRANCH  27  29
ATOM     29  C   LIG    1        4.267  -0.203  -0.203  0.00  0.00    +0.138 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.165  -1.419  -0.176  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1        5.461  -2.115  -1.358  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.269  -3.253  -1.325  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.782  -3.710  -0.112  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.485  -3.034   1.070  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        5.677  -1.897   1.039  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 9