REMARK  Name = BDB052147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.236  -2.658   0.036  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -6.259  -1.915   0.070  0.00  0.00    +0.253 A 
ATOM      3  C   LIG    1       -6.351  -0.511   0.582  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -7.754  -0.131   0.974  0.00  0.00    +0.110 C 
ATOM      5  S   LIG    1       -8.015   1.656   1.150  0.00  0.00    -0.156 S 
ATOM      6  C   LIG    1       -6.506   2.019   2.071  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -5.271   1.663   1.247  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -5.245   0.267   0.658  0.00  0.00    -0.028 A 
ATOM      9  C   LIG    1       -3.948  -0.254   0.150  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -3.887  -1.566  -0.335  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.693  -2.110  -0.814  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.530  -1.338  -0.827  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -1.563  -0.025  -0.368  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1       -2.768   0.505   0.116  0.00  0.00    +0.056 A 
ATOM     15  N   LIG    1       -5.038  -2.352  -0.350  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -5.008  -3.301  -0.695  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  17
ATOM     17  O   LIG    1       -0.512   0.848  -0.324  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.748   0.463  -0.884  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1        1.471   1.747  -1.295  0.00  0.00    +0.060 C 
ATOM     20  C   LIG    1        2.884   1.446  -1.783  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1        3.659   0.733  -0.758  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        3.005  -0.528  -0.375  0.00  0.00    +0.088 C 
ATOM     23  C   LIG    1        1.593  -0.277   0.151  0.00  0.00    +0.060 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.037   0.505  -1.234  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.984   0.035  -0.150  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        6.732  -1.140  -0.314  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        7.616  -1.562   0.681  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.766  -0.812   1.846  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.034   0.360   2.019  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.149   0.783   1.026  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 4