REMARK  Name = BDB015624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.413  -1.609  -0.720  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        1.177  -0.355  -0.378  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.092  -0.106  -0.065  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1       -1.077  -0.996  -0.155  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1       -0.705  -2.209  -0.559  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1        0.525  -2.567  -0.902  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.423   1.270   0.396  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.709   1.618   0.598  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -2.082   2.885   1.020  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.499   3.160   1.204  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.156   3.899   1.263  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -1.453   5.036   1.622  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.281   3.528   1.061  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.297   4.589   1.341  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        0.590   2.287   0.654  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.680  -1.933  -1.210  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        2.744  -2.922  -1.442  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.983  -1.445  -0.289  0.00  0.00    +0.045 S 
ATOM     19  O   LIG    1        5.047  -2.361  -0.645  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.580  -1.284   1.090  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.373   0.152  -1.007  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.840   0.302  -0.374  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.452   0.907  -0.236  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  24
ATOM     24  O   LIG    1       -1.672  -3.190  -0.746  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.853  -3.014  -0.062  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -2.880  -3.062   1.334  0.00  0.00    +0.166 A 
ATOM     27  F   LIG    1       -1.748  -3.257   2.026  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -4.076  -2.914   2.027  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.261  -2.729   1.317  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -5.245  -2.703  -0.081  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.043  -2.855  -0.788  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -4.035  -2.827  -2.289  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7