REMARK  Name = BDB048793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.692   0.717  -1.877  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.282   1.175  -0.542  0.00  0.00    +0.097 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -0.803  -1.422   1.368  0.00  0.00    +0.053 C 
ATOM      4  C   LIG    1       -2.074  -0.884   0.810  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.296   0.212  -0.004  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1       -3.624   0.419  -0.346  0.00  0.00    -0.244 NA
ATOM      7  C   LIG    1       -4.403  -0.506   0.184  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1       -3.560  -1.672   1.131  0.00  0.00    -0.072 S 
BRANCH   7   9
ATOM      9  C   LIG    1       -5.870  -0.550  -0.006  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -6.484   0.474  -0.753  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -7.866   0.489  -0.968  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -8.648  -0.525  -0.436  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -9.972  -0.516  -0.639  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -8.076  -1.551   0.303  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -6.693  -1.564   0.518  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.200  -0.391  -1.723  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.490  -0.159  -1.332  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.072   1.088  -1.101  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.395   1.134  -0.680  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.221   2.353  -0.406  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        5.366   1.752   0.422  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.556   0.310  -0.096  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.148  -0.033  -0.502  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        3.587  -1.273  -0.748  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        2.252  -1.327  -1.158  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.261  -0.632   0.873  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.527  -0.878   2.162  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        4.707  -1.756   2.375  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.875  -0.017   3.137  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        5.328  -0.297   3.902  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8