REMARK  Name = BDB012716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.452   0.152  -0.120  0.00  0.00    +0.148 A 
ATOM      2  C   LIG    1        0.207   1.367  -0.432  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.282   2.632  -1.046  0.00  0.00    +0.040 C 
ATOM      4  C   LIG    1        0.897   3.516  -1.500  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1        2.015   3.582  -0.442  0.00  0.00    +0.006 C 
ATOM      6  C   LIG    1        2.605   2.194  -0.125  0.00  0.00    +0.055 C 
ATOM      7  C   LIG    1        1.510   1.196  -0.012  0.00  0.00    +0.045 A 
ATOM      8  N   LIG    1        1.582  -0.071   0.487  0.00  0.00    -0.261 N 
ATOM      9  N   LIG    1        0.398  -0.712   0.440  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.737  -0.741   1.031  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1        3.049  -2.088   0.404  0.00  0.00    +0.186 C 
ATOM     12  O   LIG    1        3.875  -2.788   1.354  0.00  0.00    -0.378 OA
ATOM     13  C   LIG    1        3.716  -2.156   2.634  0.00  0.00    +0.162 C 
ATOM     14  C   LIG    1        2.630  -1.110   2.496  0.00  0.00    +0.057 C 
ENDBRANCH   8  10
BRANCH   1  15
ATOM     15  N   LIG    1       -1.767  -0.032  -0.379  0.00  0.00    -0.296 N 
ATOM     16  H   LIG    1       -2.265   0.750  -0.811  0.00  0.00    +0.154 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -3.991  -1.092  -0.517  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -2.626  -1.134  -0.154  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1       -2.205  -2.329   0.431  0.00  0.00    +0.134 A 
ATOM     20  N   LIG    1       -2.996  -3.411   0.665  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1       -4.286  -3.317   0.301  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -4.827  -2.193  -0.287  0.00  0.00    +0.036 A 
BRANCH  17  24
ATOM     23  O   LIG    1       -3.934   1.152  -1.394  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1       -4.553   0.131  -1.149  0.00  0.00    +0.339 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -5.861   0.026  -1.446  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -6.090   0.890  -1.850  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  17  24
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5