REMARK  Name = BDB027725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.403  -1.216   0.309  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.195  -2.204  -0.305  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.569  -1.958  -0.322  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        3.353  -2.921  -0.942  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.909  -4.067  -1.520  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.583  -4.281  -1.472  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.122  -0.864   0.218  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.287  -0.012   0.828  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1        0.697  -3.395  -0.886  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.953  -0.135   0.879  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.874   1.197   1.398  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.779   1.524   2.755  0.00  0.00    +0.070 A 
ATOM     13 CL   LIG    1        2.025   0.505   3.925  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1        3.358   2.710   3.192  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1        4.021   3.579   2.390  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1        4.119   3.240   1.091  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.575   2.082   0.559  0.00  0.00    +0.033 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1       -0.994  -1.384   0.317  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1       -1.268  -1.494  -0.670  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.923  -0.396   0.903  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -1.600  -0.107   2.381  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -3.312  -1.072   0.892  0.00  0.00    +0.031 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -1.935   0.926   0.085  0.00  0.00    +0.059 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.835   1.110  -1.618  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -2.333   0.874  -1.417  0.00  0.00    +0.062 C 
ATOM     26  C   LIG    1       -1.559   1.956  -2.186  0.00  0.00    +0.041 C 
BRANCH  25  27
ATOM     27  O   LIG    1       -1.995  -0.392  -1.998  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -2.211  -0.344  -2.947  0.00  0.00    +0.210 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6