REMARK  Name = BDB058180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.826  -0.584  -0.328  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.005   0.759  -0.539  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.238   1.583  -0.626  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -1.647   3.006  -0.628  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -0.224   2.893  -1.037  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        0.706   3.846  -0.416  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -0.040   5.160  -0.133  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -1.155   5.010   0.766  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -1.739   3.695   0.751  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        0.109   1.536  -0.780  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.351   1.062  -0.784  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.457  -0.261  -0.580  0.00  0.00    +0.165 A 
ATOM     13  N   LIG    1        0.416  -1.099  -0.361  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -1.905  -0.732   2.337  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -2.690  -1.309   1.154  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -1.899  -1.436  -0.102  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -1.690  -2.821  -0.546  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -3.056  -3.524  -0.642  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -3.896  -3.389   0.515  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -3.260  -2.688   1.586  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.805  -0.846  -0.588  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        3.941  -0.079  -0.844  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        5.219  -0.545  -0.866  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        5.397  -1.851  -0.626  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1        4.346  -2.711  -0.352  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        3.045  -2.204  -0.337  0.00  0.00    +0.016 A 
BRANCH  24  27
ATOM     27  N   LIG    1        6.710  -2.313  -0.631  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.826  -3.092  -1.268  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        7.293  -1.522  -0.894  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  12  21
TORSDOF 3