REMARK  Name = BDB012368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.230  -1.106  -0.389  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.367  -0.691  -1.090  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.274  -1.009  -2.419  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.083  -1.587  -2.545  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.607  -1.673  -1.330  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.524  -0.011  -0.579  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.578   0.315   0.741  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.676   0.955   1.194  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.744   1.299   0.393  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.680   0.965  -0.958  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.558   0.301  -1.459  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.826   1.334  -1.821  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.832   1.912  -1.452  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.658   0.963  -3.100  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.475   1.265  -3.550  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.116  -0.910   0.932  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.093  -1.335   1.567  0.00  0.00    +0.266 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -3.967  -2.218   1.482  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.584  -0.767   1.374  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -2.236  -0.347   1.397  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -1.950   1.029   1.324  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.969   1.972   1.187  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -4.298   1.556   1.134  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1       -4.601   0.194   1.228  0.00  0.00    +0.022 A 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.350   2.519   0.989  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1       -6.205   3.296   0.872  0.00  0.00    -0.191 NA
ENDBRANCH  23  25
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7