REMARK  Name = BDB028222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.179  -0.092  -1.085  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.744   0.175  -0.054  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.105  -0.131  -0.205  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.551  -0.708  -1.389  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.979  -1.027  -1.541  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.783  -0.720  -0.471  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.772  -0.933  -0.557  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.380  -0.156   0.700  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.414  -1.536  -2.568  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.654  -0.982  -2.425  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.118   0.131   0.849  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.300  -0.675  -2.270  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.690   0.126   0.329  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1        2.338  -0.193   0.193  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        1.604   0.232  -0.924  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.303   0.981  -1.872  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        3.613   1.312  -1.780  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        4.274   0.877  -0.682  0.00  0.00    +0.156 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.673  -0.042   1.618  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.292  -0.345   1.459  0.00  0.00    -0.494 OA
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  21
ATOM     21  C   LIG    1       -2.654   0.766   2.164  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.779   0.945   3.090  0.00  0.00    -0.325 NA
ATOM     23  H   LIG    1       -4.228   0.033   3.208  0.00  0.00    +0.119 HD
ATOM     24  H   LIG    1       -4.495   1.489   2.602  0.00  0.00    +0.119 HD
ENDBRANCH  21  22
ENDBRANCH  11  21
TORSDOF 4