REMARK  Name = BDB015731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.829  -1.139   0.186  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.678  -0.238  -0.328  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.135   0.908  -0.775  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.216   1.169  -0.659  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.006   0.201  -0.068  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.490  -0.963   0.345  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.066   1.891  -1.390  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.336   1.945  -0.942  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.271   2.835  -1.454  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.614   2.820  -0.899  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.965   3.732  -2.472  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.741   4.551  -2.955  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.576   3.657  -2.996  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.700   2.786  -2.479  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.380   0.437   0.020  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        2.593   1.371   0.349  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.212  -0.584   0.668  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        4.649  -0.336   0.225  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        5.619   0.204   1.091  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        6.925   0.413   0.620  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        7.264   0.115  -0.699  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.305  -0.403  -1.563  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.313   0.505   2.536  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1        3.820   0.623   2.821  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1        5.007  -0.626  -1.105  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.064  -0.548   2.200  0.00  0.00    +0.027 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  27
ATOM     27  O   LIG    1       -1.321  -2.338   0.690  0.00  0.00    -0.420 OA
BRANCH  27  30
ATOM     28  C   LIG    1       -3.376  -2.313   2.663  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -3.625  -2.709   1.237  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1       -2.590  -2.683   0.289  0.00  0.00    +0.170 A 
ATOM     31  C   LIG    1       -2.833  -3.071  -1.031  0.00  0.00    +0.166 A 
ATOM     32  F   LIG    1       -1.834  -3.093  -1.926  0.00  0.00    -0.202 F 
ATOM     33  C   LIG    1       -4.107  -3.449  -1.436  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.150  -3.453  -0.511  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -4.910  -3.087   0.818  0.00  0.00    +0.007 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5