REMARK  Name = BDB028251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.172   1.526   0.191  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.796   0.265   0.125  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -4.185   0.155  -0.041  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -4.958   1.306  -0.141  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -6.414   1.184  -0.315  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -6.910  -0.095  -0.364  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -7.913  -0.200  -0.483  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -6.184  -1.242  -0.268  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -7.131   2.174  -0.409  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -4.360   2.568  -0.079  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.894  -1.149  -0.114  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -2.977   2.673   0.086  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.558   1.079  -0.271  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        0.183   0.960  -0.469  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.716   1.639   0.365  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.152   2.430   1.370  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.178   2.585   1.579  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        2.005   1.911   0.747  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1        2.376   0.414  -1.150  0.00  0.00    -0.454 OA
BRANCH  19  23
ATOM     20  C   LIG    1        5.976  -1.189   0.214  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        4.781  -1.522   0.860  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.564  -0.994   0.425  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        3.545  -0.112  -0.654  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        4.727   0.208  -1.320  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        5.944  -0.324  -0.882  0.00  0.00    +0.049 A 
BRANCH  20  27
ATOM     26  C   LIG    1        8.336  -1.466   0.128  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        7.092  -1.776   0.743  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -4.067  -2.434  -0.005  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.922  -3.622  -0.106  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -5.454  -3.546  -0.977  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -5.647  -3.542   0.611  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6