REMARK  Name = BDB046058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.953   0.837   0.210  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.388  -0.058   0.929  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1       -1.851  -1.329   0.981  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1       -2.429  -2.057   1.402  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.793  -1.752   0.079  0.00  0.00    +0.113 C 
BRANCH   5   6
ATOM      6  C   LIG    1        0.559  -1.143   0.436  0.00  0.00    +0.114 C 
BRANCH   6   7
ATOM      7  C   LIG    1        1.654  -1.672  -0.472  0.00  0.00    +0.217 C 
ATOM      8  N   LIG    1        2.900  -1.076  -0.353  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        3.988  -1.508  -1.238  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1        4.925  -0.359  -1.653  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        5.402   0.400  -0.494  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        4.727   0.225   0.788  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        3.216   0.012   0.582  0.00  0.00    +0.126 C 
ATOM     14  O   LIG    1        1.443  -2.596  -1.259  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        6.702   0.857  -0.493  0.00  0.00    +0.218 A 
ATOM     16  N   LIG    1        7.370   0.917  -1.658  0.00  0.00    -0.223 NA
ATOM     17  C   LIG    1        8.632   1.386  -1.637  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1        9.266   1.802  -0.496  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        8.515   1.709   0.646  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1        7.251   1.248   0.671  0.00  0.00    -0.223 NA
ENDBRANCH  11  15
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -3.623   0.129   1.807  0.00  0.00    +0.222 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.815  -0.350   1.104  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.118  -1.696   1.291  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -4.405  -2.470   1.930  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -6.255  -2.146   0.691  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -6.460  -3.128   0.789  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -6.989  -1.462  -0.227  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -7.883  -2.003  -0.868  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.619  -0.044  -0.427  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -7.437   0.734  -1.411  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -7.816   2.430  -0.862  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -6.329   2.840   0.108  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -5.155   1.881  -0.072  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -5.548   0.449   0.224  0.00  0.00    +0.034 A 
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6