REMARK  Name = BDB028225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.178  -0.419   0.695  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.092   0.544   0.383  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.351   1.892   0.604  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.376   2.855   0.332  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.132   2.462  -0.167  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.843   1.107  -0.401  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.665   2.295   1.130  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.935   3.472   1.340  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.558   1.280   1.366  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.471   1.538   1.728  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.841   0.153  -0.118  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.338  -0.047   1.159  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.467   0.695  -0.926  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.242  -0.285  -0.291  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        2.488  -0.640  -0.808  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1        2.913  -0.028  -1.979  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        2.199   0.918  -2.632  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.005   1.256  -2.088  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.178  -1.642  -0.179  0.00  0.00    -0.422 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.521  -1.422   0.092  0.00  0.00    +0.323 A 
ATOM     21  N   LIG    1        5.250  -2.534   0.277  0.00  0.00    -0.203 NA
ATOM     22  C   LIG    1        6.548  -2.345   0.580  0.00  0.00    +0.118 A 
ATOM     23  C   LIG    1        7.125  -1.104   0.709  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        6.285  -0.035   0.509  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        4.981  -0.162   0.205  0.00  0.00    -0.203 NA
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  C   LIG    1       -3.920  -1.911   0.460  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.092  -2.714   0.828  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -5.332  -2.484   1.796  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -5.892  -2.351   0.303  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5