REMARK  Name = BDB029596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.413  -0.973  -1.542  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        3.134  -0.459  -1.298  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.935  -1.211  -1.455  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        0.693  -0.459  -1.054  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1       -0.571  -1.042  -1.000  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1       -0.810  -2.470  -1.115  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1       -0.221  -3.005  -2.400  0.00  0.00    +0.248 C 
ATOM      8  O   LIG    1        1.101  -3.461  -2.175  0.00  0.00    -0.490 OA
ATOM      9  O   LIG    1        0.820   0.731  -0.743  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.057  -2.522  -1.927  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1        3.335  -3.040  -2.196  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.488  -2.276  -2.022  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        5.587  -0.228  -1.452  0.00  0.00    -0.339 N 
ATOM     14  H   LIG    1        6.410  -0.812  -1.298  0.00  0.00    +0.146 HD
BRANCH  13  20
ATOM     15  C   LIG    1        9.257   1.399   0.172  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1        7.847   1.106   0.075  0.00  0.00    -0.303 N 
ATOM     17  C   LIG    1        7.083   0.712   1.166  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1        7.503   0.376   2.261  0.00  0.00    -0.276 OA
ATOM     19  C   LIG    1        5.624   0.832   0.795  0.00  0.00    +0.119 C 
ATOM     20  C   LIG    1        5.650   1.048  -0.720  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        7.018   1.704  -0.944  0.00  0.00    +0.130 C 
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   5  22
ATOM     22  C   LIG    1       -1.671  -0.235  -0.441  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.684  -0.251   1.099  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.058  -1.550   1.586  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -1.907  -1.544   2.547  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -2.608   0.845   1.687  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.980   0.921   1.141  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -4.761  -0.300   1.429  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.239  -0.186   1.108  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.851   1.065   0.930  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -8.223   1.139   0.655  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.990  -0.024   0.583  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.392  -1.266   0.778  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.018   2.318   0.974  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.024  -1.347   1.042  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -4.678   2.098   1.687  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 7