REMARK  Name = BDB015522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.415  -0.187  -0.157  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -0.835   1.083  -0.316  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.070   1.988  -0.724  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.355   1.726  -0.990  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        1.726   0.458  -0.798  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.884  -0.558  -0.419  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -1.774  -4.442   2.311  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -2.058  -3.229   1.485  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.487  -2.994   1.100  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -4.353  -3.800   1.433  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -3.733  -1.831   0.373  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -5.098  -1.513  -0.018  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.724  -0.961  -0.007  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -1.430  -1.175   0.299  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -1.116  -2.353   1.095  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        3.087   0.262  -1.150  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        3.424   1.181  -1.449  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.087  -0.295   0.096  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        4.521   0.869   0.835  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.439  -1.408   0.757  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.484  -0.952  -0.840  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        6.145   0.117  -1.702  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        6.500  -1.572   0.117  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1       -0.309   3.309  -0.936  0.00  0.00    -0.424 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.607   3.628  -0.625  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1       -2.516   3.822  -1.665  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -3.830   4.187  -1.373  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.224   4.372  -0.046  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.305   4.199   0.990  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.990   3.835   0.702  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6