REMARK  Name = BDB000278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.027   0.774   0.320  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        0.683   0.379   0.445  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.373   1.184  -0.011  0.00  0.00    +0.073 A 
ATOM      4  N   LIG    1       -1.710   0.773   0.176  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1       -2.665   1.871  -0.060  0.00  0.00    +0.149 C 
ATOM      6  C   LIG    1       -2.263   2.671  -1.303  0.00  0.00    +0.188 C 
ATOM      7  O   LIG    1       -0.981   3.292  -1.111  0.00  0.00    -0.486 OA
ATOM      8  C   LIG    1       -3.268   3.779  -1.586  0.00  0.00    +0.053 C 
ATOM      9  C   LIG    1       -0.045   2.418  -0.608  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        1.282   2.832  -0.726  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        2.313   2.014  -0.268  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        3.766  -1.023   0.037  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1        3.106  -0.083   0.825  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        3.545  -0.017   2.151  0.00  0.00    +0.129 A 
ATOM     15  N   LIG    1        4.530  -0.785   2.636  0.00  0.00    -0.199 NA
ATOM     16  C   LIG    1        5.107  -1.639   1.795  0.00  0.00    +0.214 A 
ATOM     17  N   LIG    1        4.755  -1.810   0.521  0.00  0.00    -0.219 NA
BRANCH  14  18
ATOM     18  N   LIG    1        2.965   0.886   3.066  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        3.084   1.833   2.716  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        1.963   0.717   3.114  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
BRANCH  16  21
ATOM     21  N   LIG    1        6.110  -2.445   2.291  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        6.154  -3.301   1.759  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        6.008  -2.520   3.294  0.00  0.00    +0.145 HD
ENDBRANCH  16  21
BRANCH  12  25
ATOM     24  C   LIG    1        2.392  -2.384  -1.563  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        3.415  -1.268  -1.411  0.00  0.00    +0.053 C 
ENDBRANCH  12  25
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1       -2.064  -0.539  -0.393  0.00  0.00    +0.107 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.507  -1.502   0.710  0.00  0.00    +0.047 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.853  -1.137   1.332  0.00  0.00    +0.161 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -4.896  -1.066   0.359  0.00  0.00    -0.383 OA
ATOM     30  C   LIG    1       -5.449  -2.337   0.041  0.00  0.00    +0.193 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8