REMARK  Name = BDB029978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.128  -0.402   1.007  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.064   0.083   1.904  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.939   0.975   2.383  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.386  -1.333   0.248  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.498   0.252   0.108  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.212  -0.312   0.172  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.213   0.241   0.992  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.512   1.370   1.751  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.577   1.927   2.538  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.785   1.937   1.697  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.157   3.332   2.639  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.775   1.385   0.883  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.613  -0.709  -2.502  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.307  -0.780  -1.899  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.749   0.146  -1.062  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.502  -0.358  -0.751  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.308  -1.563  -1.386  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.408  -1.790  -2.067  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.504  -0.352   1.665  0.00  0.00    -0.106 NA
ATOM     20  H   LIG    1       -2.553  -1.187   1.058  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.515   0.857   0.994  0.00  0.00    +0.092 S 
ATOM     22  O   LIG    1       -2.898   1.352  -0.219  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -3.923   1.751   2.058  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.975   0.076   0.465  0.00  0.00    +0.213 A 
ATOM     25  N   LIG    1       -5.086  -1.302   0.344  0.00  0.00    -0.216 NA
ATOM     26  C   LIG    1       -6.313  -1.504  -0.084  0.00  0.00    +0.201 A 
ATOM     27  N   LIG    1       -6.991  -0.328  -0.243  0.00  0.00    -0.338 N 
ATOM     28  C   LIG    1       -8.351  -0.198  -0.700  0.00  0.00    +0.150 C 
ATOM     29  C   LIG    1       -6.154   0.694   0.101  0.00  0.00    +0.135 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5