REMARK  Name = BDB028503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.511   1.711  -0.723  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.952   0.593  -0.467  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        2.305   0.349  -0.263  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        3.180   1.524  -0.387  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1        4.691   1.301  -0.181  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1        5.103   0.732   1.118  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        6.330   0.070   1.299  0.00  0.00    +0.253 C 
ATOM      8  O   LIG    1        6.487  -0.708   2.241  0.00  0.00    -0.269 OA
ATOM      9  C   LIG    1        4.077   0.547   2.140  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        3.172  -0.651   1.861  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.837  -0.855   0.384  0.00  0.00    +0.111 C 
ATOM     12  N   LIG    1        0.136  -0.499  -0.349  0.00  0.00    -0.297 N 
ATOM     13  H   LIG    1        0.517  -1.343  -0.753  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        7.387   0.274   0.322  0.00  0.00    +0.074 A 
ATOM     15  S   LIG    1        8.026   1.832   0.009  0.00  0.00    -0.092 S 
ATOM     16  C   LIG    1        9.165   1.213  -1.107  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        9.098  -0.159  -1.205  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        8.087  -0.703  -0.361  0.00  0.00    +0.021 A 
ENDBRANCH   7  14
BRANCH  12  19
ATOM     19  C   LIG    1       -1.291  -0.364  -0.602  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.036  -1.652  -0.232  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.461  -2.730  -1.000  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.878  -3.549  -0.676  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.555  -1.558  -0.522  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.384  -1.347   0.680  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.820  -1.538   0.386  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.485  -0.381  -0.328  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.954   0.919  -0.245  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.609   1.981  -0.884  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.795   1.758  -1.583  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.333   0.476  -1.652  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.651   1.164   0.475  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.684  -0.589  -1.025  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.206  -0.035   1.326  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  12  19
TORSDOF 6