REMARK  Name = BDB011618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.005  -0.957   0.631  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.027  -0.077   0.349  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.733   0.886   0.176  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.146  -2.108   1.026  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.380  -0.261   0.401  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.281   0.929   0.340  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.883   2.065   0.131  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.591   0.478   0.511  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.558  -0.950   0.513  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.475  -1.591   1.458  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -3.201  -1.322   0.470  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.840  -2.772   0.412  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.701   1.203  -0.108  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -6.212   0.546  -1.401  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -7.338   1.361  -2.034  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -8.471   1.620  -1.045  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -7.964   2.281   0.234  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.843   1.470   0.882  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  22
ATOM     19  C   LIG    1        3.535   0.031   0.364  0.00  0.00    +0.167 A 
ATOM     20  C   LIG    1        2.608  -0.978   0.617  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        2.866  -2.398   0.969  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1        1.330  -0.362   0.453  0.00  0.00    +0.171 A 
ATOM     23  N   LIG    1        1.469   0.920   0.088  0.00  0.00    -0.073 NA
ATOM     24  O   LIG    1        2.820   1.153   0.021  0.00  0.00    -0.354 OA
BRANCH  19  26
ATOM     25  C   LIG    1        5.805   0.660  -0.747  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        4.974   0.037   0.380  0.00  0.00    -0.003 C 
ATOM     27  C   LIG    1        5.573  -0.455   1.486  0.00  0.00    -0.019 C 
ATOM     28  C   LIG    1        7.054  -0.435   1.736  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1        7.821   0.541   0.836  0.00  0.00    -0.010 C 
ATOM     30  C   LIG    1        7.723   1.982   1.344  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1        7.322   0.402  -0.607  0.00  0.00    +0.012 C 
BRANCH  25  33
ATOM     32  C   LIG    1        5.335  -1.219  -2.483  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        5.320   0.272  -2.166  0.00  0.00    +0.005 C 
ENDBRANCH  25  33
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 5