REMARK  Name = BDB063687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.666   1.451   0.616  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -1.725   0.919   1.475  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.448   1.566  -0.027  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -0.372   2.155  -1.105  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -6.874  -1.773  -1.578  0.00  0.00    +0.042 C 
ATOM      6  C   LIG    1       -5.734  -0.815  -1.336  0.00  0.00    -0.034 C 
ATOM      7  C   LIG    1       -4.515  -1.116  -2.179  0.00  0.00    +0.103 C 
ATOM      8  S   LIG    1       -2.975  -0.577  -1.380  0.00  0.00    -0.131 S 
ATOM      9  C   LIG    1       -3.565   1.129  -1.151  0.00  0.00    +0.169 C 
ATOM     10  N   LIG    1       -4.767   1.111  -0.337  0.00  0.00    -0.249 N 
ATOM     11  C   LIG    1       -4.228   1.696   0.760  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.610   1.823   1.899  0.00  0.00    -0.273 OA
ATOM     13  CA  LIG    1       -2.908   1.974  -0.013  0.00  0.00    +0.191 C 
ATOM     14  CA  LIG    1       -5.775   0.196  -0.438  0.00  0.00    +0.122 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.931   0.387   0.480  0.00  0.00    +0.351 C 
ATOM     16  O   LIG    1       -7.601   1.399   0.577  0.00  0.00    -0.244 OA
BRANCH  15  17
ATOM     17  OXT LIG    1       -7.151  -0.693   1.250  0.00  0.00    -0.476 OA
ATOM     18  HXT LIG    1       -7.864  -0.399   1.855  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   1  13
BRANCH   3  19
ATOM     19  C   LIG    1        0.680   0.956   0.651  0.00  0.00    +0.190 A 
ATOM     20  O   LIG    1        1.905   1.029   0.040  0.00  0.00    -0.452 OA
ATOM     21  C   LIG    1        2.812   0.397   0.837  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        2.183  -0.084   1.966  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        0.817   0.274   1.848  0.00  0.00    +0.055 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.209   0.369   0.331  0.00  0.00    +0.303 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.997  -0.336   1.288  0.00  0.00    -0.483 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.323  -0.533   1.008  0.00  0.00    +0.139 A 
ATOM     27  C   LIG    1        7.057  -1.291   1.938  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1        6.309  -1.940   3.357  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        8.417  -1.547   1.743  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        9.052  -1.042   0.614  0.00  0.00    +0.019 A 
ATOM     31 BR   LIG    1       10.890  -1.382   0.339  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        8.342  -0.286  -0.317  0.00  0.00    +0.019 A 
ATOM     33  C   LIG    1        6.980  -0.031  -0.120  0.00  0.00    +0.048 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   3  19
TORSDOF 7