REMARK  Name = BDB028240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.985   0.398  -0.699  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.893  -0.573  -0.434  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.264  -1.850  -0.022  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.292  -2.820   0.246  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.061  -2.503   0.111  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.449  -1.216  -0.282  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.692  -2.167   0.139  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.063  -3.280   0.494  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.572  -1.146  -0.126  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.561  -1.345  -0.018  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.535  -0.258  -0.566  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -4.244   0.109  -0.537  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.865  -0.891  -0.415  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        2.534   0.121   0.256  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1        3.860   0.081  -0.175  0.00  0.00    +0.139 A 
ATOM     16  C   LIG    1        4.760   1.044   0.365  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1        4.318   1.937   1.270  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.933   1.944   1.717  0.00  0.00    +0.038 A 
ATOM     19 CL   LIG    1        5.385   3.112   1.942  0.00  0.00    -0.083 Cl
ATOM     20  N   LIG    1        4.060  -0.888  -1.040  0.00  0.00    -0.235 NA
ATOM     21  C   LIG    1        2.077   1.042   1.205  0.00  0.00    +0.095 A 
ATOM     22  C   LIG    1        2.843  -1.498  -1.185  0.00  0.00    +0.139 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.648   1.810  -1.168  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.159   2.592  -0.029  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -2.039   3.561  -0.329  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -2.902   2.623   0.674  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3