REMARK  Name = BDB063702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.097  -0.142   2.191  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.594  -0.610   1.442  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.415   0.846   2.868  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -0.952   1.510   3.752  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.120   0.460  -0.781  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -4.587   1.826  -0.353  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -3.006   1.775   0.561  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.581   0.482   1.686  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -3.862  -0.680   0.875  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -3.160  -1.571   1.599  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -3.049  -2.772   1.544  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -2.536  -0.400   2.433  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -4.702  -0.690  -0.192  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -6.655   1.530  -2.460  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -6.078   0.460  -1.895  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -5.104  -2.024  -0.706  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -6.207  -2.530  -0.616  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -4.075  -2.631  -1.325  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -4.414  -3.527  -1.532  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        0.957   1.017   2.444  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        1.457   0.218   1.446  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        2.757   0.585   1.243  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        3.094   1.611   2.102  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        1.940   1.888   2.872  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        3.490  -0.167   0.188  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.833   0.311   0.178  0.00  0.00    -0.483 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.705  -0.245  -0.720  0.00  0.00    +0.139 A 
ATOM     28  C   LIG    1        7.023   0.244  -0.705  0.00  0.00    +0.083 A 
ATOM     29 CL   LIG    1        7.508   1.487   0.398  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        7.984  -0.261  -1.584  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        7.640  -1.263  -2.490  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.337  -1.755  -2.515  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        5.372  -1.249  -1.636  0.00  0.00    +0.047 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8