REMARK  Name = BDB001657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.493  -0.729   0.664  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        0.551  -2.110   0.439  0.00  0.00    +0.053 A 
ATOM      3 CL   LIG    1       -0.800  -3.166   0.643  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1        1.763  -2.700   0.063  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        2.917  -1.925  -0.086  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.875  -0.543   0.145  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        1.663   0.044   0.533  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        4.064   0.244   0.010  0.00  0.00    -0.252 N 
ATOM      9  C   LIG    1        4.400   1.380   0.752  0.00  0.00    +0.200 A 
ATOM     10  C   LIG    1        5.683   1.759   0.415  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        6.144   0.878  -0.580  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1        5.126  -0.002  -0.870  0.00  0.00    +0.200 A 
BRANCH   9  13
ATOM     13  O   LIG    1        3.590   1.901   1.669  0.00  0.00    -0.493 OA
ATOM     14  H   LIG    1        4.053   2.648   2.089  0.00  0.00    +0.294 HD
ENDBRANCH   9  13
BRANCH  12  15
ATOM     15  O   LIG    1        5.104  -0.906  -1.851  0.00  0.00    -0.493 OA
ATOM     16  H   LIG    1        4.178  -1.068  -2.105  0.00  0.00    +0.294 HD
ENDBRANCH  12  15
ENDBRANCH   6   8
BRANCH   1  19
ATOM     17  N   LIG    1       -1.875  -0.335   0.347  0.00  0.00    -0.266 N 
ATOM     18  H   LIG    1       -1.839  -1.075  -0.341  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -0.745   0.003   1.051  0.00  0.00    +0.251 C 
ATOM     20  O   LIG    1       -0.655   0.874   1.908  0.00  0.00    -0.270 OA
BRANCH  17  24
ATOM     21  C   LIG    1       -6.294  -0.583  -1.304  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1       -5.328   0.063  -0.357  0.00  0.00    +0.040 A 
ATOM     23  N   LIG    1       -4.046  -0.373  -0.385  0.00  0.00    -0.237 NA
ATOM     24  C   LIG    1       -3.160   0.194   0.464  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1       -3.515   1.199   1.350  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1       -4.836   1.639   1.367  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.760   1.065   0.503  0.00  0.00    +0.023 A 
ENDBRANCH  17  24
ENDBRANCH   1  19
TORSDOF 5