REMARK  Name = BDB002355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.115   0.871   0.575  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.376   1.139   1.709  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1       -0.519   0.522   2.501  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.798   1.281  -0.542  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.964   1.703   1.590  0.00  0.00    +0.157 C 
ATOM      6  C   LIG    1        1.277   2.592   2.786  0.00  0.00    +0.038 C 
BRANCH   5   7
ATOM      7  C   LIG    1        1.968   0.539   1.525  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1        3.204   0.884   1.002  0.00  0.00    -0.235 N 
ATOM      9  H   LIG    1        3.513   1.851   0.976  0.00  0.00    +0.173 HD
ATOM     10  O   LIG    1        1.709  -0.591   1.947  0.00  0.00    -0.272 OA
BRANCH   8  11
ATOM     11  N   LIG    1        4.234  -0.066   1.142  0.00  0.00    -0.264 N 
ATOM     12  H   LIG    1        3.888  -0.903   1.630  0.00  0.00    +0.170 HD
BRANCH  11  13
ATOM     13  C   LIG    1        4.838  -0.445  -0.087  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        5.504  -1.679  -0.151  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        6.181  -2.075  -1.307  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.225  -1.229  -2.412  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.604   0.015  -2.354  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.928   0.410  -1.194  0.00  0.00    +0.024 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   5   7
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.357  -0.023   0.804  0.00  0.00    +0.161 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.218   0.129  -0.366  0.00  0.00    -0.302 N 
ATOM     21  H   LIG    1       -2.743   0.009  -1.252  0.00  0.00    +0.150 HD
ATOM     22  C   LIG    1       -4.205   1.097  -0.379  0.00  0.00    +0.230 C 
ATOM     23  O   LIG    1       -4.596   1.668   0.636  0.00  0.00    -0.274 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -4.814   1.375  -1.767  0.00  0.00    +0.135 C 
ATOM     25  C   LIG    1       -5.761   0.251  -2.166  0.00  0.00    +0.033 C 
BRANCH  24  26
ATOM     26  N   LIG    1       -3.759   1.536  -2.788  0.00  0.00    -0.320 NA
ATOM     27  H   LIG    1       -3.365   0.640  -3.061  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -3.001   2.107  -2.408  0.00  0.00    +0.119 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  19  20
BRANCH  19  30
ATOM     29  C   LIG    1       -1.246  -2.144  -0.138  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -1.958  -1.494   1.054  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -3.180  -2.329   1.447  0.00  0.00    +0.009 C 
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 9