REMARK  Name = BDB007878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.704  -1.075  -1.140  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1        1.708  -0.233  -0.317  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        1.820   0.984  -0.290  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        2.568  -1.116   0.339  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1        2.356  -2.471  -0.088  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.899  -2.464  -0.499  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.281   0.272  -2.179  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -3.084  -1.107  -1.556  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -1.629  -1.561  -1.691  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.703  -0.588  -1.080  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -0.835   0.718  -1.762  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -2.257   1.273  -1.655  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.702   0.824  -2.124  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1       -5.161   1.435  -3.093  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1       -7.377   0.355   1.216  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -6.005   0.489   1.444  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.111   0.644   0.379  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -5.584   0.652  -0.934  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -6.963   0.534  -1.161  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -7.855   0.381  -0.092  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -9.539   0.102   2.171  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -8.132   0.211   2.347  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1        3.825  -0.666   0.924  0.00  0.00    +0.203 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.934  -0.508  -0.130  0.00  0.00    +0.237 C 
ATOM     25  N   LIG    1        6.141   0.036   0.214  0.00  0.00    -0.253 N 
ATOM     26  H   LIG    1        6.777   0.147  -0.562  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1        4.795  -0.864  -1.307  0.00  0.00    -0.274 OA
BRANCH  25  28
ATOM     28  C   LIG    1        6.528   0.371   1.482  0.00  0.00    +0.224 A 
ATOM     29  N   LIG    1        7.727   0.939   1.763  0.00  0.00    -0.289 N 
ATOM     30  C   LIG    1        8.876   1.346   0.996  0.00  0.00    +0.138 C 
ATOM     31  C   LIG    1        9.717   2.243   1.914  0.00  0.00    +0.099 C 
ATOM     32  S   LIG    1        9.238   1.824   3.642  0.00  0.00    -0.084 S 
ATOM     33  C   LIG    1        7.783   1.102   3.104  0.00  0.00    +0.193 A 
ATOM     34  N   LIG    1        6.692   0.668   3.665  0.00  0.00    -0.121 NA
ATOM     35  N   LIG    1        5.888   0.208   2.627  0.00  0.00    -0.112 NA
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7