REMARK  Name = BDB037144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.042  -0.153   0.694  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.465  -1.450   0.393  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.082  -2.103  -0.152  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.718   0.653   1.313  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.306   1.561   0.502  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.903   0.971  -0.620  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.188  -0.016  -1.319  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.906  -0.396  -0.911  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.316   0.210   0.206  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        2.016   1.202   0.901  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.297   2.178   2.499  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.979   2.556   1.158  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.297   1.355  -1.057  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.288   0.397  -0.581  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.847   0.537   0.641  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.703  -0.483   0.719  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.711  -1.268  -0.449  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.793  -0.668  -1.277  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.989  -2.041   0.714  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.049  -3.344   0.078  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.215  -1.945   2.138  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.057  -0.945  -0.212  0.00  0.00    +0.153 A 
ATOM     23  C   LIG    1       -4.063  -0.145   0.390  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1       -4.262  -0.085   1.890  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.216   1.004   2.382  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.454   1.071   1.509  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.049   1.453   0.092  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -4.926   0.599  -0.453  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -4.726   0.606  -1.842  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.709  -0.145  -2.417  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -2.894  -0.940  -1.611  0.00  0.00    +0.147 A 
BRANCH  31  32
ATOM     32  O   LIG    1       -1.872  -1.643  -2.203  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -2.377  -2.673  -3.059  0.00  0.00    +0.277 C 
ENDBRANCH  31  32
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7