REMARK  Name = BDB050490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.024   0.438   0.691  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1        0.503   0.779  -0.556  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.584   0.057  -1.065  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.142  -1.000  -0.329  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        1.611  -1.319   0.929  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.529  -0.603   1.442  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -1.406   1.361   1.343  0.00  0.00    +0.076 S 
ATOM      8  O   LIG    1       -1.345   2.674   0.742  0.00  0.00    -0.150 OA
ATOM      9  O   LIG    1       -1.401   1.154   2.774  0.00  0.00    -0.150 OA
BRANCH   7  12
ATOM     10  O   LIG    1       -4.355   1.732   1.627  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1       -3.992   0.815   0.912  0.00  0.00    +0.319 C 
ATOM     12  N   LIG    1       -2.665   0.504   0.666  0.00  0.00    -0.169 N 
ATOM     13  H   LIG    1       -2.416  -0.313   0.129  0.00  0.00    +0.178 HD
ATOM     14  N   LIG    1       -4.846  -0.024   0.249  0.00  0.00    -0.295 N 
ATOM     15  H   LIG    1       -4.462  -0.609  -0.475  0.00  0.00    +0.151 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -6.284   0.202   0.254  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -7.032  -1.093  -0.065  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -8.549  -0.915   0.034  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -9.020   0.505  -0.285  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -8.093   1.201  -1.272  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -6.667   1.323  -0.729  0.00  0.00    +0.022 C 
ENDBRANCH  14  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        3.332  -1.754  -0.871  0.00  0.00    +0.052 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.648  -1.032  -0.571  0.00  0.00    +0.110 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.764  -1.819  -1.101  0.00  0.00    -0.190 NA
ATOM     25  H   LIG    1        5.953  -2.742  -0.712  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  S   LIG    1        7.123  -1.041  -1.700  0.00  0.00    +0.058 S 
ATOM     27  O   LIG    1        6.688  -0.110  -2.717  0.00  0.00    -0.153 OA
ATOM     28  O   LIG    1        8.095  -2.076  -1.975  0.00  0.00    -0.153 OA
BRANCH  26  29
ATOM     29  C   LIG    1        7.689  -0.117  -0.294  0.00  0.00    +0.105 A 
ATOM     30  C   LIG    1        7.406   1.249  -0.197  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        7.861   1.965   0.910  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.600   1.321   1.904  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.894  -0.039   1.794  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        8.442  -0.763   0.691  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8