REMARK  Name = BDB028675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.032  -0.024   1.720  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.047  -0.050   0.796  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.703  -1.228   1.091  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.841  -1.686   0.434  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.336  -0.873  -0.598  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.681   0.335  -0.924  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        1.063  -1.858   2.110  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.532   0.772  -0.239  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.029  -1.105   2.505  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.974   0.996   1.780  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.001   1.645   0.987  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.399   0.910   2.632  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1       -3.192   2.072   2.283  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.111   0.635   4.024  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.755  -0.464   0.643  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -3.221  -0.506   1.940  0.00  0.00    +0.123 A 
ATOM     17  C   LIG    1       -3.379  -1.648   2.734  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1       -4.056  -2.755   2.228  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.574  -2.727   0.933  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.420  -1.593   0.118  0.00  0.00    -0.035 A 
ATOM     21  C   LIG    1       -4.993  -1.614  -1.273  0.00  0.00    +0.044 C 
BRANCH  15  22
ATOM     22  C   LIG    1       -3.572   0.741  -0.190  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1       -2.481   1.167  -0.532  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1       -4.729   2.513  -1.162  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1       -4.787   1.276  -0.452  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        0.851   1.931  -0.488  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        1.289   2.719  -1.589  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        4.569  -1.295  -1.367  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.683  -0.383  -1.142  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.967   0.575  -2.050  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        7.031   1.194  -1.532  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        7.434   0.634  -0.306  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        6.545  -0.391  -0.081  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8