REMARK  Name = BDB012449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.670   3.632  -1.441  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -3.087   2.768  -0.395  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -1.946   2.018  -0.336  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.780   1.665  -1.084  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -0.012   0.829  -0.216  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.725   0.582   1.086  0.00  0.00    +0.163 C 
ATOM      7  O   LIG    1       -0.543   2.053  -2.216  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.938   1.419   0.909  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -2.966   1.774   1.675  0.00  0.00    -0.176 NA
ATOM     10  N   LIG    1       -3.678   2.579   0.840  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -4.548   2.975   1.181  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.264   0.332  -0.495  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        1.895   0.522  -1.670  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.160   0.020  -1.938  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        3.741   0.286  -3.246  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.883  -0.726  -1.014  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1        5.002  -1.190  -1.217  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        3.208  -0.949   0.302  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        3.964  -1.746   1.317  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        1.983  -0.437   0.514  0.00  0.00    +0.033 A 
ENDBRANCH   5  12
BRANCH   6  21
ATOM     21  C   LIG    1       -1.228  -0.838   1.295  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -1.455  -1.294   2.607  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.914  -2.592   2.847  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.155  -3.449   1.777  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -2.718  -5.047   2.072  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -1.945  -3.018   0.470  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.488  -1.719   0.229  0.00  0.00    +0.007 A 
ENDBRANCH   6  21
TORSDOF 2