REMARK  Name = BDB001028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.516  -0.258  -0.835  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.550  -1.204  -0.752  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        2.841  -0.762  -0.505  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        4.105  -1.572  -0.373  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1        5.109  -0.484  -0.115  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        6.545  -0.621   0.105  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1        7.298   0.551   0.330  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        8.678   0.480   0.547  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        9.315  -0.761   0.539  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        8.577  -1.924   0.317  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.614   1.882   0.338  0.00  0.00    +0.257 A 
ATOM     12  O   LIG    1        7.231   2.924   0.531  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1        5.251   1.876   0.117  0.00  0.00    -0.321 N 
ATOM     14  H   LIG    1        4.788   2.775   0.122  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        7.197  -1.857   0.100  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.551   0.734  -0.097  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        3.127   0.602  -0.338  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.121   1.546  -0.417  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        0.812   1.107  -0.667  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  22
ATOM     20  O   LIG    1       -2.071   1.187  -1.149  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -1.955  -0.029  -1.219  0.00  0.00    +0.217 C 
ATOM     22  N   LIG    1       -0.780  -0.755  -1.086  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1       -0.855  -1.759  -1.190  0.00  0.00    +0.155 HD
BRANCH  21  24
ATOM     24  C   LIG    1       -3.142  -0.948  -1.477  0.00  0.00    +0.097 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.487  -0.228  -1.581  0.00  0.00    +0.024 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.979   0.299  -0.224  0.00  0.00    +0.085 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -6.305   0.929  -0.335  0.00  0.00    -0.298 NA
ATOM     28  C   LIG    1       -7.415  -0.046  -0.420  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1       -7.741  -0.752   0.909  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1       -7.997   0.188   1.959  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -6.888   1.081   2.122  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1       -6.576   1.825   0.813  0.00  0.00    +0.112 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 5