REMARK  Name = BDB051149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.320   1.548  -1.149  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.396   0.164  -1.290  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.615  -0.447  -1.607  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -4.774   0.320  -1.798  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -4.691   1.709  -1.656  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.473   2.314  -1.335  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.200   2.268  -0.833  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.006   1.524  -0.574  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.079   2.505  -0.116  0.00  0.00    +0.148 C 
BRANCH   9  11
ATOM     10  C   LIG    1        2.709   1.051   0.959  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1        2.425   1.926  -0.079  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        3.220   2.073  -1.294  0.00  0.00    +0.132 C 
ATOM     13  O   LIG    1        1.875   0.714   1.798  0.00  0.00    -0.271 OA
BRANCH  10  15
ATOM     14  C   LIG    1        4.317  -0.721   1.484  0.00  0.00    -0.021 C 
ATOM     15  C   LIG    1        4.098   0.527   1.035  0.00  0.00    +0.063 C 
BRANCH  14  16
ATOM     16  C   LIG    1        5.647  -1.400   1.682  0.00  0.00    +0.031 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.897  -0.516   1.555  0.00  0.00    +0.030 C 
BRANCH  17  19
ATOM     18  C   LIG    1        8.976  -1.089   2.844  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        8.156  -1.300   1.806  0.00  0.00    -0.034 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  10  15
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1       -6.093  -0.342  -2.121  0.00  0.00    +0.083 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.841  -0.799  -0.906  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -6.965  -2.038  -0.404  0.00  0.00    +0.204 A 
ATOM     23  N   LIG    1       -7.750  -2.124   0.701  0.00  0.00    -0.287 N 
ATOM     24  H   LIG    1       -7.915  -2.996   1.182  0.00  0.00    +0.172 HD
ATOM     25  C   LIG    1       -8.309  -0.956   1.144  0.00  0.00    +0.291 A 
ATOM     26  O   LIG    1       -9.040  -0.806   2.107  0.00  0.00    -0.260 OA
ATOM     27  S   LIG    1       -7.791   0.331   0.051  0.00  0.00    -0.028 S 
BRANCH  22  28
ATOM     28  O   LIG    1       -6.423  -3.201  -0.850  0.00  0.00    -0.493 OA
ATOM     29  H   LIG    1       -5.832  -3.001  -1.593  0.00  0.00    +0.294 HD
ENDBRANCH  22  28
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 11