REMARK  Name = BDB029816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.498   0.589   0.086  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.679   0.569  -0.633  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.781  -0.006  -1.473  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.460   1.012   1.240  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.135  -0.340  -0.426  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.940   0.126   0.141  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.731   0.075  -0.574  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -0.725  -0.451  -1.865  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.421  -0.519  -2.563  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -1.906  -0.916  -2.440  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -1.901  -1.563  -4.036  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -3.104  -0.860  -1.728  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.665   0.264   3.016  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -5.951  -0.034   1.801  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -4.609   0.117   1.591  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -4.400  -0.298   0.291  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -5.592  -0.692  -0.277  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -6.503  -0.521   0.654  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        2.958   0.794   0.183  0.00  0.00    -0.106 NA
ATOM     20  H   LIG    1        2.711   1.144   1.124  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.918  -0.605   0.362  0.00  0.00    +0.092 S 
ATOM     22  O   LIG    1        3.547  -1.238   1.604  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        3.915  -1.305  -0.904  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.546  -0.051   0.592  0.00  0.00    +0.213 A 
ATOM     25  N   LIG    1        6.311   0.511  -0.393  0.00  0.00    -0.229 N 
ATOM     26  C   LIG    1        5.985   0.745  -1.777  0.00  0.00    +0.176 C 
ATOM     27  N   LIG    1        7.527   0.861   0.066  0.00  0.00    -0.064 NA
ATOM     28  N   LIG    1        7.584   0.527   1.347  0.00  0.00    -0.136 NA
ATOM     29  C   LIG    1        6.389  -0.035   1.683  0.00  0.00    +0.185 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5