REMARK  Name = BDB012428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.385   3.891  -1.460  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -2.853   3.008  -0.403  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -1.778   2.166  -0.348  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.663   1.698  -1.112  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        0.053   0.822  -0.238  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.648   0.668   1.085  0.00  0.00    +0.163 C 
ATOM      7  O   LIG    1       -0.421   2.036  -2.258  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.790   1.599   0.911  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -2.766   2.059   1.690  0.00  0.00    -0.176 NA
ATOM     10  N   LIG    1       -3.428   2.900   0.848  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -4.254   3.376   1.198  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.276   0.211  -0.531  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        1.893   0.319  -1.724  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.104  -0.295  -2.005  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        3.675  -0.112  -3.331  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.784  -1.076  -1.077  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1        4.855  -1.637  -1.291  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        3.123  -1.208   0.259  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        3.834  -2.040   1.278  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        1.951  -0.590   0.483  0.00  0.00    +0.033 A 
ENDBRANCH   5  12
BRANCH   6  21
ATOM     21  C   LIG    1       -1.262  -0.699   1.343  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -1.496  -1.101   2.671  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.057  -2.349   2.956  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.393  -3.209   1.915  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -3.081  -4.747   2.264  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -2.179  -2.830   0.592  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.621  -1.581   0.307  0.00  0.00    +0.007 A 
ENDBRANCH   6  21
TORSDOF 2