REMARK  Name = BDB059745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.362  -0.671   0.047  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.860  -1.847   0.371  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1       -2.204  -2.131   0.433  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.747  -3.443   0.815  0.00  0.00    +0.125 C 
ATOM      5  S   LIG    1       -4.474  -3.079   1.033  0.00  0.00    -0.016 S 
ATOM      6  C   LIG    1       -4.510  -1.507   0.217  0.00  0.00    +0.207 C 
ATOM      7  O   LIG    1       -4.851  -2.987   2.481  0.00  0.00    -0.173 OA
ATOM      8  O   LIG    1       -5.289  -4.118   0.329  0.00  0.00    -0.173 OA
ATOM      9  C   LIG    1       -2.130  -3.881   2.129  0.00  0.00    +0.042 C 
ATOM     10  C   LIG    1       -2.526  -4.530  -0.190  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1       -3.082  -1.160   0.148  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -2.568   0.099  -0.199  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1       -1.243   0.310  -0.241  0.00  0.00    -0.212 NA
ENDROOT
BRANCH  12  14
ATOM     14  N   LIG    1       -3.396   1.219  -0.515  0.00  0.00    -0.308 N 
ATOM     15  C   LIG    1       -3.345   2.430   0.300  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1       -2.171   3.307   0.021  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -4.577   3.265   0.025  0.00  0.00    +0.182 C 
ATOM     18  O   LIG    1       -5.707   2.515  -0.146  0.00  0.00    -0.376 OA
ATOM     19  C   LIG    1       -5.667   1.659  -1.218  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1       -4.298   1.216  -1.640  0.00  0.00    +0.135 C 
ENDBRANCH  12  14
BRANCH   1  24
ATOM     21  C   LIG    1        3.873   0.111   0.042  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        3.353  -1.169   0.351  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        2.005  -1.389   0.334  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        1.082  -0.417   0.025  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        1.579   0.824  -0.278  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        2.955   1.088  -0.271  0.00  0.00    +0.024 A 
BRANCH  21  30
ATOM     27  N   LIG    1        7.391   1.418  -0.008  0.00  0.00    -0.299 N 
ATOM     28  H   LIG    1        7.521   2.661  -0.548  0.00  0.00    +0.150 HD
ATOM     29  C   LIG    1        6.046   1.448  -0.254  0.00  0.00    +0.304 C 
ATOM     30  N   LIG    1        5.250   0.309   0.119  0.00  0.00    -0.269 N 
ATOM     31  H   LIG    1        5.839  -0.498   0.507  0.00  0.00    +0.156 HD
ATOM     32  O   LIG    1        5.377   2.395  -0.785  0.00  0.00    -0.253 OA
BRANCH  27  34
ATOM     33  C   LIG    1        9.614   1.538  -0.996  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1        8.730   1.388   0.237  0.00  0.00    +0.102 C 
ENDBRANCH  27  34
ENDBRANCH  21  30
ENDBRANCH   1  24
TORSDOF 4