REMARK  Name = BDB008292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.766  -2.440   2.269  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.877  -1.693   1.327  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.651  -0.325   1.253  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1       -3.279   0.667   2.188  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -1.742   0.009   0.164  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.410   1.364  -0.309  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -0.214   1.750  -0.592  0.00  0.00    -0.271 NA
ATOM      8  C   LIG    1        0.932   0.844  -0.453  0.00  0.00    +0.184 C 
ATOM      9  C   LIG    1        0.815  -0.285  -1.429  0.00  0.00    +0.164 A 
ATOM     10  N   LIG    1       -0.194  -1.229  -1.332  0.00  0.00    -0.275 N 
ATOM     11  C   LIG    1        0.149  -2.182  -2.283  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1       -0.625  -3.395  -2.636  0.00  0.00    +0.088 C 
ATOM     13  N   LIG    1        1.247  -1.805  -2.908  0.00  0.00    -0.134 NA
ATOM     14  N   LIG    1        1.659  -0.618  -2.380  0.00  0.00    -0.132 NA
ATOM     15  C   LIG    1       -1.240  -1.150  -0.406  0.00  0.00    +0.097 A 
ATOM     16  S   LIG    1       -1.964  -2.557   0.176  0.00  0.00    -0.075 S 
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1       -2.525   2.340  -0.515  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.287   3.702  -0.283  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -3.307   4.637  -0.479  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.559   4.213  -0.920  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -5.816   5.362  -1.159  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -4.800   2.862  -1.173  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.782   1.925  -0.977  0.00  0.00    +0.011 A 
ENDBRANCH   6  17
BRANCH   8  24
ATOM     24  C   LIG    1        2.197   1.678  -0.678  0.00  0.00    +0.155 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.489   0.937  -0.425  0.00  0.00    +0.310 C 
ATOM     26  O   LIG    1        4.562   1.302  -0.888  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1        3.317  -0.104   0.431  0.00  0.00    -0.459 OA
BRANCH  27  28
ATOM     28  C   LIG    1        4.417  -0.991   0.755  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        5.521  -0.254   1.520  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        3.798  -2.048   1.683  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        4.954  -1.694  -0.496  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   8  24
TORSDOF 5