REMARK  Name = BDB013684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.494   0.475  -0.097  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.279   1.202   0.573  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.793  -0.003  -0.068  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        2.892   0.917   0.327  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        4.169   0.386   0.460  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        5.239   1.203   0.852  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        5.028   2.559   1.097  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.753   3.102   0.940  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.396  -1.037   0.160  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        5.517  -1.515   0.320  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.299  -1.748  -0.309  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        3.436  -3.158  -0.625  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        2.686   2.286   0.552  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.026  -1.248  -0.375  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.638  -0.427  -0.327  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.996   0.351  -0.389  0.00  0.00    +0.105 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.133  -0.539  -0.911  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1       -4.039  -0.099  -1.896  0.00  0.00    +0.046 A 
ATOM     19 CL   LIG    1       -3.950   1.472  -2.617  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -5.072  -0.933  -2.346  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -5.228  -2.212  -1.818  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.356  -2.660  -0.834  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.324  -1.833  -0.383  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
BRANCH  16  25
ATOM     24  C   LIG    1       -2.062   0.442   2.109  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1       -2.450   1.046   0.843  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -2.216   2.484   0.821  0.00  0.00    +0.105 C 
ENDBRANCH  16  25
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5