REMARK  Name = BDB056485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.160   2.331  -0.490  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.350   1.487  -0.878  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.941   1.424  -0.379  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.376   2.451   0.575  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.890   2.683   0.543  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1       -3.654   1.450   0.744  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1       -5.007   1.568   1.085  0.00  0.00    +0.253 C 
ATOM      8  O   LIG    1       -5.545   2.675   1.102  0.00  0.00    -0.269 OA
ATOM      9  C   LIG    1       -3.010   0.199   0.325  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1       -1.936   0.412  -0.754  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.727   0.351   1.431  0.00  0.00    +0.074 A 
ATOM     12  S   LIG    1       -7.296   0.101   0.788  0.00  0.00    -0.092 S 
ATOM     13  C   LIG    1       -7.459  -1.399   1.593  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -6.355  -1.698   2.359  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -5.358  -0.683   2.274  0.00  0.00    +0.021 A 
ENDBRANCH   7  11
BRANCH   2  16
ATOM     16  C   LIG    1        0.741   0.447  -1.917  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.111   0.729  -2.531  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.221   0.212  -1.645  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.511   0.960  -0.537  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.952   1.785  -0.319  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        4.459   0.605   0.388  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.668   1.252   1.406  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.206  -0.627   0.081  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        4.852  -1.324  -1.078  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        5.543  -2.497  -1.387  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        6.566  -2.962  -0.555  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.907  -2.256   0.600  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.226  -1.083   0.923  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        3.828  -0.892  -1.939  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4