REMARK  Name = BDB001400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.156   1.890  -0.352  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -0.555   0.913   0.576  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.213   1.818   1.755  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -0.455   3.149   1.429  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.218   4.198   2.300  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.280   3.885   3.564  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.516   2.547   3.924  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.266   1.505   3.022  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.022   3.197   0.086  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -1.320   4.224  -0.494  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.739   0.256   0.054  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.429   0.751  -1.064  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.621   0.163  -1.514  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        3.189  -0.936  -0.857  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        2.519  -1.410   0.283  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        1.330  -0.823   0.733  0.00  0.00    +0.009 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.494  -1.603  -1.323  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1        4.235  -3.095  -1.628  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        5.560  -1.490  -0.212  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        5.095  -0.975  -2.601  0.00  0.00    +0.015 C 
ENDBRANCH  14  17
ENDBRANCH   2  11
BRANCH   1  21
ATOM     21  C   LIG    1       -1.766   1.569  -1.634  0.00  0.00    +0.111 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.034   2.711  -1.296  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.289   1.418  -1.587  0.00  0.00    +0.016 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   2  24
ATOM     24  O   LIG    1       -1.582   0.051   1.071  0.00  0.00    -0.341 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.804  -1.165   0.370  0.00  0.00    +0.218 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.144  -1.656   0.777  0.00  0.00    +0.064 A 
ATOM     27  C   LIG    1       -3.859  -2.788   0.430  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1       -3.478  -3.887  -0.485  0.00  0.00    +0.067 C 
ATOM     29  N   LIG    1       -5.075  -2.802   1.072  0.00  0.00    -0.241 NA
ATOM     30  C   LIG    1       -5.109  -1.705   1.792  0.00  0.00    +0.197 A 
ATOM     31  N   LIG    1       -3.964  -0.981   1.649  0.00  0.00    -0.346 N 
ATOM     32  H   LIG    1       -3.742  -0.098   2.090  0.00  0.00    +0.167 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 7