REMARK  Name = BDB053542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.263   1.315   1.373  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.222   0.486   0.813  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -1.280  -0.310  -0.292  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.375  -0.579  -1.205  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -2.069  -1.260  -2.374  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.653  -1.643  -2.727  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        0.275  -1.855  -1.502  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.137  -1.458  -3.209  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -4.388  -1.056  -2.913  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -4.588  -0.436  -1.734  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -3.605  -0.174  -0.859  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -0.022  -0.870  -0.423  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        0.737  -0.369   0.669  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -0.011   0.470   1.411  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        2.138  -0.656   1.019  0.00  0.00    +0.264 C 
ATOM     16  N   LIG    1        3.010  -0.568  -0.053  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        2.672  -0.108  -0.888  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.513  -0.925   2.156  0.00  0.00    -0.268 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.443  -0.690   0.136  0.00  0.00    +0.109 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.065   0.585   0.712  0.00  0.00    +0.054 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.561   0.459   0.849  0.00  0.00    -0.046 A 
ATOM     22  C   LIG    1        7.116  -0.148   1.984  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        8.499  -0.286   2.107  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        9.339   0.176   1.096  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        8.797   0.778  -0.039  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.414   0.917  -0.164  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  13  15
BRANCH  10  27
ATOM     27  N   LIG    1       -5.900  -0.034  -1.504  0.00  0.00    -0.284 N 
ATOM     28  H   LIG    1       -6.463  -0.268  -2.309  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -6.591   0.380  -0.361  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -6.063   0.312   0.931  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -6.781   0.786   2.035  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.040   1.352   1.859  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.579   1.444   0.580  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -7.858   0.967  -0.518  0.00  0.00    +0.023 A 
ENDBRANCH  27  29
ENDBRANCH  10  27
TORSDOF 6