REMARK  Name = BDB057398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.665   1.523  -0.661  0.00  0.00    +0.185 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.322   0.346   0.014  0.00  0.00    +0.025 A 
ATOM      3  S   LIG    1        2.668  -0.420  -0.707  0.00  0.00    -0.088 S 
ATOM      4  C   LIG    1        2.811  -1.587   0.556  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        1.820  -1.373   1.518  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1        1.679  -2.143   2.630  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        2.557  -3.147   2.769  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        3.570  -3.440   1.880  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        3.719  -2.650   0.735  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1        0.983  -0.266   1.203  0.00  0.00    +0.042 A 
BRANCH   9  11
ATOM     11  C   LIG    1        4.797  -2.925  -0.244  0.00  0.00    +0.338 C 
ATOM     12  O   LIG    1        5.073  -2.294  -1.245  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        5.511  -4.020   0.084  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        6.173  -4.086  -0.637  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   1   2
BRANCH   1  17
ATOM     15  C   LIG    1        2.288   4.693   0.747  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.056   3.528   0.009  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        0.850   2.810   0.129  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1       -0.139   3.305   0.991  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        0.060   4.499   1.683  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.259   5.199   1.542  0.00  0.00    +0.023 A 
BRANCH  15  21
ATOM     21  N   LIG    1        3.443   5.451   0.520  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1        3.676   6.075   1.287  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        4.241   4.900   0.219  0.00  0.00    +0.142 HD
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  O   LIG    1       -0.727   1.196  -0.764  0.00  0.00    -0.366 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.123   0.898  -2.105  0.00  0.00    +0.176 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.594   0.442  -2.133  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.799  -0.999  -1.872  0.00  0.00    -0.300 NA
ATOM     28  C   LIG    1       -4.207  -1.387  -2.056  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1       -4.977  -1.550  -0.748  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -4.340  -2.615   0.144  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -2.834  -2.733  -0.081  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -2.242  -1.413  -0.573  0.00  0.00    +0.084 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 9