REMARK  Name = BDB063693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.370  -1.764   0.186  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -1.400  -1.784  -0.825  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.205  -1.380   0.825  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -0.166  -1.319   2.053  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.534   1.547   1.892  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -4.932   1.042   0.574  0.00  0.00    +0.042 C 
ATOM      7  CA  LIG    1       -5.407  -0.365   0.155  0.00  0.00    +0.201 C 
ATOM      8  N   LIG    1       -4.577  -1.341   0.865  0.00  0.00    -0.271 N 
ATOM      9  C   LIG    1       -3.372  -0.849   1.561  0.00  0.00    +0.165 C 
ATOM     10  CA  LIG    1       -2.601  -2.052   0.966  0.00  0.00    +0.190 C 
ATOM     11  C   LIG    1       -3.887  -2.275   0.141  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1       -4.185  -2.889  -0.858  0.00  0.00    -0.273 OA
ATOM     13  S   LIG    1       -3.105   0.813   0.825  0.00  0.00    -0.127 S 
ATOM     14  C   LIG    1       -5.142   2.075  -0.536  0.00  0.00    +0.025 C 
BRANCH   7  15
ATOM     15  C   LIG    1       -6.904  -0.579   0.368  0.00  0.00    +0.327 C 
ATOM     16  O   LIG    1       -7.792   0.091  -0.138  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  OXT LIG    1       -7.220  -1.588   1.203  0.00  0.00    -0.479 OA
ATOM     18  HXT LIG    1       -8.200  -1.614   1.205  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1        0.914  -1.073  -0.045  0.00  0.00    +0.190 A 
ATOM     20  O   LIG    1        2.090  -0.687   0.544  0.00  0.00    -0.452 OA
ATOM     21  C   LIG    1        2.998  -0.449  -0.444  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        2.418  -0.679  -1.673  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        1.083  -1.079  -1.419  0.00  0.00    +0.055 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.345  -0.012   0.007  0.00  0.00    +0.303 C 
BRANCH  24  25
ATOM     25  O   LIG    1        5.160   0.130  -1.156  0.00  0.00    -0.483 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.448   0.562  -0.988  0.00  0.00    +0.139 A 
ATOM     27  C   LIG    1        7.202   0.763  -2.158  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1        6.520   0.482  -3.724  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        8.528   1.200  -2.093  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        9.108   1.439  -0.852  0.00  0.00    +0.019 A 
ATOM     31 BR   LIG    1       10.901   2.029  -0.750  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        8.378   1.243   0.318  0.00  0.00    +0.019 A 
ATOM     33  C   LIG    1        7.051   0.805   0.251  0.00  0.00    +0.048 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   3  19
TORSDOF 7