REMARK  Name = BDB000603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.801  -2.760   1.673  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1        2.205  -1.996   0.949  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        2.508  -0.586   0.711  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.568  -0.104  -0.200  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.616   1.214  -0.612  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        2.627   2.031  -0.086  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.567   1.527   0.833  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.666  -1.116  -0.573  0.00  0.00    -0.260 N 
ATOM      9  C   LIG    1        3.515   0.195   1.244  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.962  -2.304   0.079  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1        0.393  -3.373   0.018  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.458  -0.955  -1.464  0.00  0.00    +0.149 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.654  -0.324  -0.788  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1       -2.329  -1.000   0.243  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.433  -0.420   0.878  0.00  0.00    +0.060 A 
ATOM     16 CL   LIG    1       -4.199  -1.317   2.140  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1       -3.878   0.845   0.482  0.00  0.00    +0.059 A 
ATOM     18 CL   LIG    1       -5.231   1.627   1.218  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1       -3.219   1.520  -0.549  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.116   0.939  -1.181  0.00  0.00    +0.007 A 
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 2