REMARK  Name = BDB052746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.251  -0.987   3.078  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -4.794  -1.204   2.942  0.00  0.00    +0.040 A 
ATOM      3  N   LIG    1       -4.008  -0.597   1.990  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1       -2.732  -1.048   2.183  0.00  0.00    +0.179 A 
ATOM      5  C   LIG    1       -1.658  -0.585   1.313  0.00  0.00    +0.167 A 
ATOM      6  N   LIG    1       -1.959   0.263   0.357  0.00  0.00    -0.227 NA
ATOM      7  C   LIG    1       -3.263   0.713   0.195  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -2.634  -1.896   3.186  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1       -4.282   0.299   0.976  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -3.918  -1.997   3.663  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -3.514   1.659  -0.913  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.835   1.523  -2.125  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1       -2.994   2.340  -3.197  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -3.861   3.362  -3.053  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -4.575   3.604  -1.891  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -4.394   2.743  -0.809  0.00  0.00    +0.013 A 
ENDBRANCH   7  11
BRANCH   5  17
ATOM     17  N   LIG    1       -0.390  -1.081   1.541  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1       -0.345  -1.743   2.310  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.842  -0.765   0.951  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        1.034   0.250   0.018  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.296   0.485  -0.552  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.417  -0.292  -0.230  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.221  -1.303   0.716  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        1.960  -1.540   1.286  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.656  -0.008  -0.824  0.00  0.00    -0.326 N 
ATOM     26  C   LIG    1        4.646  -0.095  -2.306  0.00  0.00    +0.133 C 
ATOM     27  C   LIG    1        5.959   0.469  -2.875  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1        7.109  -0.190  -2.320  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        7.124  -0.026  -0.893  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1        5.867  -0.630  -0.247  0.00  0.00    +0.133 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4