REMARK  Name = BDB056462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.054  -0.975  -0.619  0.00  0.00    -0.309 N 
ATOM      2  H   LIG    1        1.018   0.013  -0.400  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.103  -1.719  -0.593  0.00  0.00    +0.214 C 
ATOM      4  O   LIG    1       -0.140  -2.920  -0.831  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.511  -1.817  -2.420  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        2.347  -1.567  -0.917  0.00  0.00    +0.100 C 
BRANCH   6   7
ATOM      7  C   LIG    1        3.447  -0.690  -0.339  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        4.056  -1.060   0.873  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        5.051  -0.265   1.447  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        5.444   0.912   0.808  0.00  0.00    +0.105 A 
ATOM     11  C   LIG    1        4.834   1.312  -0.383  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        3.840   0.512  -0.951  0.00  0.00    +0.007 A 
BRANCH  10  13
ATOM     13  S   LIG    1        6.677   1.941   1.549  0.00  0.00    +0.056 S 
ATOM     14  O   LIG    1        6.545   3.284   1.035  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        6.748   1.655   2.963  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1        8.089   1.327   0.881  0.00  0.00    -0.204 NA
ATOM     17  H   LIG    1        8.546   2.045   0.318  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        8.681   0.942   1.617  0.00  0.00    +0.144 HD
ENDBRANCH  13  16
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   3  19
ATOM     19  C   LIG    1       -1.328  -0.893  -0.270  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.562  -1.765  -0.078  0.00  0.00    +0.083 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.781  -0.891   0.050  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1       -4.467  -0.643  -1.108  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -4.188  -1.066  -1.982  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -5.587   0.147  -1.164  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -6.190   0.346  -2.211  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.011   0.740   0.115  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -5.244   0.442   1.246  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -5.625   0.991   2.472  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -6.748   1.819   2.563  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -7.503   2.107   1.424  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.136   1.566   0.193  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -4.109  -0.385   1.194  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7