REMARK  Name = BDB056430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.750  -0.795   0.094  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -3.522  -0.372  -0.345  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -3.284   0.571  -0.611  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -2.680  -1.450  -0.353  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.469  -2.501   0.089  0.00  0.00    +0.182 A 
ATOM      6  N   LIG    1       -3.011  -3.764   0.219  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -1.718  -3.930  -0.131  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1       -0.864  -2.930  -0.584  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -1.342  -1.624  -0.686  0.00  0.00    +0.157 A 
ATOM     10  N   LIG    1       -4.741  -2.084   0.364  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -7.779  -1.562   1.118  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1       -7.284  -0.229   0.697  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -5.987   0.122   0.253  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1       -6.043   1.470  -0.014  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1       -7.325   1.845   0.272  0.00  0.00    -0.274 N 
ATOM     16  C   LIG    1       -7.890   3.167   0.155  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1       -8.100   0.836   0.705  0.00  0.00    -0.176 NA
ENDBRANCH   1  13
BRANCH   9  18
ATOM     18  O   LIG    1       -0.610  -0.561  -1.154  0.00  0.00    -0.454 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.701  -0.470  -0.748  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        1.067  -0.497   0.599  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        2.412  -0.368   0.952  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        3.386  -0.183  -0.038  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.010  -0.149  -1.389  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        1.664  -0.281  -1.740  0.00  0.00    +0.047 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.810  -0.055   0.382  0.00  0.00    +0.248 C 
ATOM     26  N   LIG    1        5.559   0.836  -0.366  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1        5.063   1.394  -1.048  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        5.185  -0.706   1.349  0.00  0.00    -0.270 OA
BRANCH  26  29
ATOM     29  C   LIG    1        6.932   1.127  -0.226  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1        7.460   2.132  -1.048  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        8.812   2.478  -0.976  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        9.651   1.819  -0.081  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        9.136   0.817   0.737  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        7.783   0.471   0.665  0.00  0.00    +0.023 A 
ENDBRANCH  26  29
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 5