REMARK  Name = BDB036987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.223  -2.524  -1.660  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -2.123  -2.211  -0.648  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.444  -0.950   0.037  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -3.436  -1.218   0.941  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -3.749  -2.546   0.958  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -4.514  -3.141   1.691  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -1.918   0.128  -0.164  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -2.933  -3.182  -0.071  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.901  -4.511  -0.448  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.009  -4.858  -1.457  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.186  -3.878  -2.049  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.007  -0.255   1.874  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.529   0.960   1.110  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -5.372   0.871   0.217  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.958   2.171   1.412  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.287   2.947   0.853  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -2.738   2.379   2.002  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -2.176   3.469   1.914  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -2.099   1.206   2.706  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.102   0.118   3.046  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  23
ATOM     21  C   LIG    1        1.136   0.184  -2.277  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1        0.736  -1.092  -1.519  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1       -0.366  -1.652  -2.320  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1       -0.984  -0.581  -3.121  0.00  0.00    +0.107 C 
ATOM     25  C   LIG    1       -0.197   0.690  -2.810  0.00  0.00    +0.043 C 
BRANCH  21  27
ATOM     26  C   LIG    1        3.085   0.974  -1.015  0.00  0.00    +0.401 C 
ATOM     27  N   LIG    1        1.814   1.168  -1.462  0.00  0.00    -0.277 N 
ATOM     28  H   LIG    1        1.285   1.870  -0.960  0.00  0.00    +0.152 HD
ATOM     29  O   LIG    1        3.805   0.047  -1.347  0.00  0.00    -0.226 OA
BRANCH  26  30
ATOM     30  O   LIG    1        3.389   1.952  -0.134  0.00  0.00    -0.445 OA
BRANCH  30  32
ATOM     31  C   LIG    1        5.815   2.172  -0.510  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        4.687   1.991   0.512  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1        4.637   3.235   1.413  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        4.906   0.757   1.395  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  21  27
ENDBRANCH   1  23
TORSDOF 5