REMARK  Name = BDB059886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.764   0.141  -0.264  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.378  -1.145   0.113  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.046  -1.455  -0.004  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.405  -2.925   0.329  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1        0.270  -3.851  -0.124  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -1.078  -3.470   0.503  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.141  -2.024   0.993  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        0.031   0.986  -0.672  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.884   1.305  -0.114  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -4.508   0.144  -0.797  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.165  -0.246  -0.848  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.192   0.517  -0.198  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -2.552   1.693   0.461  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.894   2.080   0.506  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -7.349   1.138  -0.482  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1       -6.213   1.766  -0.022  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -6.346   2.631   0.483  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -7.434   0.027  -0.990  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -8.711   3.242  -0.298  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -8.604   1.907  -0.252  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1        2.653  -3.329  -0.327  0.00  0.00    -0.319 N 
ATOM     22  H   LIG    1        2.564  -3.484  -1.327  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.780  -2.675   0.048  0.00  0.00    +0.159 A 
ATOM     24  S   LIG    1        5.041  -2.400  -1.092  0.00  0.00    -0.046 S 
ATOM     25  C   LIG    1        5.832  -1.393   0.041  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        5.150  -1.422   1.237  0.00  0.00    +0.135 A 
ATOM     27  N   LIG    1        3.975  -2.147   1.233  0.00  0.00    -0.232 NA
BRANCH  25  28
ATOM     28  S   LIG    1        7.269  -0.463  -0.325  0.00  0.00    -0.112 S 
BRANCH  28  29
ATOM     29  C   LIG    1        6.528   0.931  -1.238  0.00  0.00    +0.110 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.583   1.759  -0.403  0.00  0.00    -0.034 A 
ATOM     31  C   LIG    1        4.197   1.656  -0.570  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1        3.368   2.419   0.239  0.00  0.00    +0.111 A 
ATOM     33  N   LIG    1        3.821   3.271   1.184  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1        5.160   3.359   1.329  0.00  0.00    +0.111 A 
ATOM     35  C   LIG    1        6.069   2.635   0.573  0.00  0.00    +0.024 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 8