REMARK  Name = BDB063929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -1.455  -0.210  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.229  -2.547  -0.966  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.896  -3.207  -1.322  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.114  -2.725  -1.049  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.728  -3.619  -1.595  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.637  -1.561  -0.282  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.949  -1.343  -0.133  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.579  -0.832   0.217  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.574  -0.235   0.608  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.775  -0.489   1.292  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.407   0.568   1.972  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.884   1.862   1.976  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.619   2.800   2.685  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.677   2.221   3.206  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.688   2.108   1.276  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.865   0.549   2.893  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.050   1.061   0.596  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.744  -1.063   0.086  0.00  0.00    -0.304 N 
ATOM     19  H   LIG    1       -1.694  -0.213   0.650  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.768  -0.904  -0.968  0.00  0.00    +0.184 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.176  -1.072  -0.351  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1       -4.559   0.036   0.635  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -5.252  -1.196  -1.434  0.00  0.00    +0.009 C 
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -2.598   0.433  -1.709  0.00  0.00    +0.328 C 
ATOM     25  O   LIG    1       -2.912   0.612  -2.879  0.00  0.00    -0.249 OA
BRANCH  24  27
ATOM     26  C   LIG    1       -1.896   2.662  -1.509  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1       -2.091   1.394  -0.882  0.00  0.00    -0.467 OA
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6