REMARK  Name = BDB050982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.173  -0.333   0.328  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1        0.030  -1.008   0.689  0.00  0.00    +0.146 A 
ATOM      3  C   LIG    1       -1.061  -0.204   0.380  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -2.340  -0.713   0.675  0.00  0.00    +0.132 A 
ATOM      5  N   LIG    1       -2.416  -1.940   1.244  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.277  -2.613   1.492  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1       -0.541   0.992  -0.189  0.00  0.00    +0.032 A 
ATOM      8  N   LIG    1       -0.015  -2.231   1.242  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        0.833   0.881  -0.220  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.535   0.454   0.049  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1        4.612  -0.852  -0.743  0.00  0.00    +0.122 C 
ATOM     12  C   LIG    1        3.150  -1.263  -0.861  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1        2.524  -0.851   0.486  0.00  0.00    +0.092 C 
ATOM     14  C   LIG    1        3.510   0.138   1.141  0.00  0.00    +0.033 C 
BRANCH  11  15
ATOM     15  O   LIG    1        5.317  -1.842  -0.004  0.00  0.00    -0.391 OA
ATOM     16  H   LIG    1        5.406  -2.628  -0.573  0.00  0.00    +0.210 HD
ENDBRANCH  11  15
BRANCH  10  17
ATOM     17  C   LIG    1        5.869   0.935   0.606  0.00  0.00    +0.201 C 
BRANCH  17  18
ATOM     18  O   LIG    1        6.716   1.280  -0.481  0.00  0.00    -0.225 OA
BRANCH  18  19
ATOM     19  S   LIG    1        8.190   1.843  -0.121  0.00  0.00    +0.148 S 
ATOM     20  O   LIG    1        8.062   3.128   0.523  0.00  0.00    -0.130 OA
ATOM     21  O   LIG    1        8.989   0.777   0.433  0.00  0.00    -0.130 OA
BRANCH  19  22
ATOM     22  N   LIG    1        8.856   2.162  -1.623  0.00  0.00    -0.183 NA
ATOM     23  H   LIG    1        9.667   1.558  -1.752  0.00  0.00    +0.146 HD
ATOM     24  H   LIG    1        9.091   3.152  -1.671  0.00  0.00    +0.146 HD
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   4  25
ATOM     25  N   LIG    1       -3.496   0.014   0.407  0.00  0.00    -0.322 N 
ATOM     26  H   LIG    1       -3.362   0.735  -0.287  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -4.735  -0.735   0.317  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -5.782   0.020  -0.466  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -7.021  -0.029   0.186  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.149   0.554  -0.366  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.026   1.202  -1.597  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.792   1.242  -2.263  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.928  -0.823   1.450  0.00  0.00    +0.037 C 
ATOM     34  C   LIG    1       -5.662   0.640  -1.704  0.00  0.00    +0.006 A 
ATOM     35  C   LIG    1       -5.416  -0.827   1.698  0.00  0.00    +0.032 C 
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8