REMARK  Name = BDB065301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.051   1.043   0.112  0.00  0.00    +0.349 C 
ATOM      2  O   LIG    1        0.661   0.996   1.170  0.00  0.00    -0.244 OA
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1       -5.608  -0.466   1.965  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -6.404   0.317   1.107  0.00  0.00    +0.163 A 
ATOM      5  C   LIG    1       -5.789   1.171   0.182  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -4.390   1.263   0.105  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.597   0.488   0.958  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1       -2.134   0.519   0.901  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -1.416   1.236   0.022  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -1.974   2.160  -0.990  0.00  0.00    +0.231 A 
ATOM     11  O   LIG    1       -1.244   2.794  -1.746  0.00  0.00    -0.279 OA
ATOM     12  S   LIG    1       -3.710   2.396  -1.075  0.00  0.00    -0.046 S 
ATOM     13  C   LIG    1       -4.214  -0.368   1.889  0.00  0.00    +0.058 A 
BRANCH   3  15
ATOM     14  C   LIG    1       -5.517  -2.198   3.607  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -6.281  -1.282   2.832  0.00  0.00    -0.491 OA
ENDBRANCH   3  15
BRANCH   4  16
ATOM     16  O   LIG    1       -7.761   0.161   1.236  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -8.599   1.067   0.533  0.00  0.00    +0.277 C 
ENDBRANCH   4  16
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  O   LIG    1        0.552   0.819  -1.156  0.00  0.00    -0.422 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.939   0.658  -1.222  0.00  0.00    +0.133 A 
ATOM     20  C   LIG    1        2.544  -0.514  -0.764  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        3.930  -0.685  -0.910  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        4.693   0.330  -1.541  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        6.077   0.153  -1.695  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        6.697  -1.020  -1.246  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        5.949  -2.019  -0.622  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.051   1.490  -2.009  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        4.573  -1.848  -0.450  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        2.675   1.657  -1.854  0.00  0.00    +0.047 A 
BRANCH  24  29
ATOM     29  C   LIG    1        8.160  -1.190  -1.437  0.00  0.00    +0.116 C 
ATOM     30  N   LIG    1        8.691  -2.322  -1.766  0.00  0.00    -0.285 NA
ATOM     31  H   LIG    1        7.972  -3.032  -1.923  0.00  0.00    +0.188 HD
BRANCH  29  32
ATOM     32  N   LIG    1        9.000  -0.133  -1.270  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        8.757   0.501  -0.517  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        9.965  -0.444  -1.220  0.00  0.00    +0.144 HD
ENDBRANCH  29  32
ENDBRANCH  24  29
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7