REMARK  Name = BDB020598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189  -0.562   1.440  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.644  -0.392   1.562  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.111   0.902   2.180  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -2.456  -1.411   1.159  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1       -1.843  -2.619   0.722  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -0.460  -2.808   0.685  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -0.186  -4.088   0.254  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -1.420  -4.716  -0.003  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.410  -3.802   0.280  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        0.373  -1.720   1.049  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        0.668   1.525   0.677  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -0.035   1.421  -0.043  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        0.775   0.556   1.646  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        1.580   0.561   2.566  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        1.489   2.715   0.684  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1        7.093   2.281  -0.831  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        5.624   2.329  -0.550  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1        5.186   3.280   0.335  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        5.842   3.927   0.756  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        3.878   3.456   0.703  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1        3.553   4.376   1.449  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        2.870   2.497   0.124  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.308   1.597  -0.790  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        2.444   0.640  -1.563  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        4.727   1.508  -1.113  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1       -3.974  -1.290   1.150  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1       -4.619  -2.106   2.271  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -4.527  -1.717  -0.103  0.00  0.00    -0.366 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.770  -0.660  -1.037  0.00  0.00    +0.203 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.493  -0.279  -1.720  0.00  0.00    +0.015 A 
ATOM     31  S   LIG    1       -2.998   1.361  -1.770  0.00  0.00    -0.099 S 
ATOM     32  C   LIG    1       -1.593   0.979  -2.667  0.00  0.00    +0.045 A 
ATOM     33  C   LIG    1       -1.494  -0.370  -2.920  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -2.597  -1.094  -2.384  0.00  0.00    +0.013 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 7