REMARK  Name = BDB057644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.153  -0.185   0.686  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        2.304  -0.047  -0.109  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.876   1.213  -0.352  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.273   2.328   0.247  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        2.827   3.594   0.061  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        2.407   4.408   0.488  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        3.953   3.832  -0.672  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        4.620   2.653  -1.312  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.877   3.033  -2.047  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        6.963   1.629  -2.422  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        5.683   0.493  -2.999  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        4.679   0.200  -1.885  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        4.390   4.973  -0.802  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.133   2.205   1.046  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        4.087   1.413  -1.192  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        0.573   0.947   1.269  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        1.333  -2.535   0.754  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        0.611  -1.556   0.909  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1       -0.716  -1.643   1.261  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.336  -0.858   1.089  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.388  -2.925   1.358  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.808  -2.756   1.926  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.589  -1.710   1.225  0.00  0.00    -0.301 NA
ATOM     24  C   LIG    1       -3.861  -2.085  -0.176  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1       -5.125  -1.442  -0.770  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -5.389  -0.072  -0.166  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -5.488  -0.154   1.361  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -4.829  -1.408   1.946  0.00  0.00    +0.084 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  18
TORSDOF 4