REMARK  Name = BDB029930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.432  -1.778  -1.140  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.668  -2.307  -1.984  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.369  -0.961  -0.532  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.035  -0.066   0.243  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.803  -1.189  -0.849  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.230  -2.167  -1.746  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.336  -2.948  -2.375  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.589  -2.340  -2.002  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.120  -3.549  -3.109  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.534  -1.536  -1.365  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.129  -0.544  -0.460  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.759  -0.380  -0.210  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.139   0.279   0.189  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.489   0.107  -0.021  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -8.083   1.016   0.720  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -7.173   1.769   1.400  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -7.482   2.852   2.297  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -5.925   1.315   1.075  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        1.021  -1.293  -1.067  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.094  -0.514  -0.392  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.650  -0.798  -2.572  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.974  -1.582  -3.586  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.617   0.647  -2.595  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.346  -1.353  -2.462  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1        5.489  -0.852   0.263  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1        5.616  -1.046  -1.266  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        4.130  -0.615  -1.395  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        3.965  -1.057   0.084  0.00  0.00    +0.027 C 
BRANCH  25  33
ATOM     29  C   LIG    1        6.082   2.716   3.575  0.00  0.00    +0.129 C 
ATOM     30  N   LIG    1        6.198   2.138   2.258  0.00  0.00    -0.302 N 
ATOM     31  H   LIG    1        6.037   2.763   1.482  0.00  0.00    +0.150 HD
ATOM     32  C   LIG    1        5.753   0.855   2.049  0.00  0.00    +0.300 C 
ATOM     33  N   LIG    1        5.866   0.501   0.726  0.00  0.00    -0.297 N 
ATOM     34  H   LIG    1        6.580   1.014   0.228  0.00  0.00    +0.151 HD
ATOM     35  O   LIG    1        5.313   0.121   2.922  0.00  0.00    -0.253 OA
ENDBRANCH  25  33
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7