REMARK  Name = BDB060357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.582  -0.113   0.308  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        4.220  -0.148   0.074  0.00  0.00    -0.226 N 
ATOM      3  C   LIG    1        3.645  -1.147   0.841  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1        2.244  -1.347   0.749  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.515  -0.580  -0.076  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.273   0.452  -0.837  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        4.646  -1.750   1.567  0.00  0.00    +0.069 A 
ATOM      8 CL   LIG    1        4.505  -3.034   2.671  0.00  0.00    -0.081 Cl
ATOM      9  N   LIG    1        3.549   0.682  -0.787  0.00  0.00    -0.174 NA
ATOM     10  C   LIG    1        5.856  -1.109   1.238  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        0.102  -0.701  -0.211  0.00  0.00    +0.021 A 
ATOM     12  S   LIG    1       -0.655  -2.243  -0.387  0.00  0.00    -0.093 S 
ATOM     13  C   LIG    1       -2.198  -1.556  -0.497  0.00  0.00    -0.004 A 
ATOM     14  C   LIG    1       -3.436  -2.369  -0.691  0.00  0.00    +0.058 C 
ATOM     15  C   LIG    1       -4.673  -1.483  -0.441  0.00  0.00    +0.086 C 
ATOM     16  N   LIG    1       -4.558  -0.140  -1.045  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1       -4.367  -0.258  -2.039  0.00  0.00    +0.123 HD
ATOM     18  C   LIG    1       -3.446   0.654  -0.478  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1       -2.188  -0.179  -0.420  0.00  0.00    -0.019 A 
ATOM     20  C   LIG    1       -0.852   0.307  -0.260  0.00  0.00    +0.021 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.871   1.222   0.853  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -3.447   2.613   1.267  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.885   2.340   0.926  0.00  0.00    +0.006 C 
ENDBRANCH  18  21
ENDBRANCH   5  11
BRANCH   1  27
ATOM     24  N   LIG    1        6.079   1.688  -1.183  0.00  0.00    -0.324 N 
ATOM     25  H   LIG    1        5.092   1.726  -1.420  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        6.732   2.318  -1.622  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        6.550   0.777  -0.288  0.00  0.00    +0.260 C 
ATOM     28  O   LIG    1        7.750   0.750  -0.031  0.00  0.00    -0.269 OA
ENDBRANCH   1  27
TORSDOF 3