REMARK  Name = BDB013942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.342   1.522  -0.843  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.804   1.395   0.599  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -1.524   0.928   1.489  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.512   1.802   0.823  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1        1.262   2.614  -0.087  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.642   3.630  -0.848  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.407   4.379  -1.758  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.773   4.149  -1.900  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        3.394   3.177  -1.124  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.805   4.002  -0.639  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        2.646   2.421  -0.219  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -1.776   2.948  -1.153  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -2.297  -0.639  -1.564  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.471   0.599  -0.976  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -3.132   0.633  -0.206  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -1.299  -0.939  -2.219  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -3.444  -1.639  -1.289  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -3.028  -2.496  -0.093  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -4.697  -3.442  -2.385  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -3.702  -2.396  -2.528  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -2.815  -2.786  -2.858  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        1.103   1.484   2.124  0.00  0.00    +0.171 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.694   0.104   2.242  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        1.778  -0.983   1.315  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.415  -2.007   2.017  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        2.679  -3.267   1.459  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        2.281  -3.489   0.139  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        1.652  -2.487  -0.592  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1        2.672  -1.486   3.257  0.00  0.00    -0.266 N 
ATOM     30  C   LIG    1        3.319  -2.167   4.353  0.00  0.00    +0.173 C 
ATOM     31  C   LIG    1        1.401  -1.234  -0.019  0.00  0.00    +0.012 A 
ATOM     32  N   LIG    1        2.272  -0.215   3.414  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5