REMARK  Name = BDB047740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.389  -0.653  -0.072  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        1.037  -0.253  -0.055  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.109  -1.245  -0.392  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -1.242  -0.926  -0.409  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -1.707   0.354  -0.086  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1       -0.787   1.351   0.275  0.00  0.00    +0.162 A 
ATOM      7  N   LIG    1        0.466  -2.495  -0.700  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.774  -2.771  -0.668  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        0.575   1.045   0.287  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        2.752  -1.910  -0.384  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        3.391   0.312   0.196  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1        3.324   1.075  -0.464  0.00  0.00    +0.155 HD
BRANCH  11  15
ATOM     13  C   LIG    1        7.065   0.009   0.932  0.00  0.00    +0.011 A 
ATOM     14  S   LIG    1        5.964   0.993   0.064  0.00  0.00    -0.057 S 
ATOM     15  C   LIG    1        4.650  -0.008   0.579  0.00  0.00    +0.164 A 
ATOM     16  N   LIG    1        5.003  -0.989   1.381  0.00  0.00    -0.233 NA
ATOM     17  C   LIG    1        6.369  -0.993   1.572  0.00  0.00    +0.124 A 
BRANCH  13  18
ATOM     18  C   LIG    1        8.534   0.289   0.933  0.00  0.00    +0.044 C 
BRANCH  18  19
ATOM     19  C   LIG    1        9.258  -0.520  -0.148  0.00  0.00    +0.005 C 
BRANCH  19  21
ATOM     20  C   LIG    1       11.251   1.050  -0.432  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       10.779  -0.359  -0.107  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  22
ATOM     22  O   LIG    1       -1.312   2.577   0.590  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -0.428   3.572   1.085  0.00  0.00    +0.277 C 
ENDBRANCH   6  22
BRANCH   5  24
ATOM     24  O   LIG    1       -3.029   0.724  -0.083  0.00  0.00    -0.488 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.996  -0.244  -0.485  0.00  0.00    +0.230 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.375   0.409  -0.409  0.00  0.00    +0.056 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.472  -0.576  -0.823  0.00  0.00    +0.088 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -7.804   0.041  -0.805  0.00  0.00    -0.298 NA
ATOM     29  C   LIG    1       -8.341   0.248   0.558  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -9.400  -0.789   0.970  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1      -10.533  -0.823   0.092  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1      -10.213  -0.437  -1.252  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -8.756  -0.745  -1.623  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 11