REMARK  Name = BDB054899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.867   0.344  -0.540  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.160   0.315  -1.740  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.240   0.249  -1.737  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.957   0.204  -0.536  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        1.249   0.240   0.663  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.151   0.308   0.660  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.363   0.145  -0.623  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        3.744   0.119  -1.556  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        4.266  -0.053   0.413  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        5.568   0.064  -0.055  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        5.703   0.436  -0.982  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.961  -0.301   1.572  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.726  -0.141   0.689  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        6.806  -0.597   1.987  0.00  0.00    +0.068 A 
ATOM     15  S   LIG    1        8.420  -0.723   2.549  0.00  0.00    -0.103 S 
ATOM     16  C   LIG    1        9.036  -0.171   1.055  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        8.031   0.101   0.152  0.00  0.00    +0.031 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  C   LIG    1       -3.191   0.448  -1.476  0.00  0.00    +0.250 C 
ATOM     19  N   LIG    1       -2.272   0.399  -0.447  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -2.649   0.419   0.496  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -2.920   0.494  -2.670  0.00  0.00    -0.270 OA
BRANCH  18  29
ATOM     22  C   LIG    1       -4.758  -0.845   1.197  0.00  0.00    +0.144 A 
ATOM     23  C   LIG    1       -5.196  -0.051   0.092  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1       -6.518   0.296   0.081  0.00  0.00    -0.234 N 
ATOM     25  C   LIG    1       -6.808   0.981  -1.063  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -5.646   1.102  -1.788  0.00  0.00    +0.035 A 
ATOM     27  N   LIG    1       -7.398   0.006   1.050  0.00  0.00    -0.155 NA
ATOM     28  C   LIG    1       -6.896  -0.675   2.030  0.00  0.00    +0.245 A 
ATOM     29  C   LIG    1       -4.591   0.486  -1.042  0.00  0.00    +0.067 A 
ATOM     30  N   LIG    1       -5.604  -1.128   2.140  0.00  0.00    -0.217 NA
BRANCH  22  31
ATOM     31  N   LIG    1       -3.494  -1.346   1.335  0.00  0.00    -0.341 N 
ATOM     32  H   LIG    1       -3.465  -2.050   2.069  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -3.084  -1.707   0.477  0.00  0.00    +0.144 HD
ENDBRANCH  22  31
ENDBRANCH  18  29
ENDBRANCH   1  19
TORSDOF 5