REMARK  Name = BDB030114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.288  -0.625  -1.594  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.260   0.076  -0.951  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.161  -0.609  -0.409  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -1.097  -1.997  -0.537  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -0.051  -2.675  -0.035  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -2.113  -2.695  -1.191  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -2.032  -4.408  -1.350  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -3.208  -2.014  -1.722  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -5.724  -0.009  -1.609  0.00  0.00    +0.049 A 
ATOM     10  N   LIG    1       -6.466   0.874  -2.361  0.00  0.00    -0.271 N 
ATOM     11  C   LIG    1       -7.879   1.157  -2.250  0.00  0.00    +0.172 C 
ATOM     12  N   LIG    1       -5.745   1.534  -3.286  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -4.507   1.068  -3.119  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1       -4.434   0.092  -2.105  0.00  0.00    +0.023 A 
BRANCH   9  15
ATOM     15  C   LIG    1       -6.301  -0.831  -0.491  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.019  -0.219   0.885  0.00  0.00    +0.165 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -4.340   0.108   2.511  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -4.686  -0.537   1.294  0.00  0.00    -0.383 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  C   LIG    1       -0.116   0.182   0.290  0.00  0.00    +0.262 C 
ATOM     20  N   LIG    1        0.946  -0.502   0.855  0.00  0.00    -0.228 N 
ATOM     21  H   LIG    1        1.165  -1.460   0.569  0.00  0.00    +0.171 HD
ATOM     22  O   LIG    1       -0.194   1.409   0.353  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  N   LIG    1        2.161   0.355   1.236  0.00  0.00    -0.112 NA
ATOM     24  H   LIG    1        1.919   1.356   1.150  0.00  0.00    +0.171 HD
BRANCH  23  25
ATOM     25  S   LIG    1        3.545   0.031   0.283  0.00  0.00    +0.045 S 
ATOM     26  O   LIG    1        3.490  -1.371  -0.074  0.00  0.00    -0.157 OA
ATOM     27  O   LIG    1        3.606   1.073  -0.717  0.00  0.00    -0.157 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.833   0.287   1.499  0.00  0.00    +0.190 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.223  -0.123   0.996  0.00  0.00    +0.016 C 
ATOM     30  C   LIG    1        6.774   0.836  -0.071  0.00  0.00    +0.033 C 
ATOM     31  C   LIG    1        8.221   0.503  -0.416  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1        9.034   0.511   0.756  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        8.622  -0.475   1.698  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1        7.205  -0.191   2.178  0.00  0.00    +0.033 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   3  19
TORSDOF 9