REMARK  Name = BDB020590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.607  -2.275   0.557  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.470  -1.528   1.224  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -0.045  -0.334   2.041  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -1.752  -1.974   1.091  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1       -1.965  -3.189   0.381  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -0.931  -3.945  -0.174  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.455  -5.081  -0.751  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.852  -5.032  -0.578  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.138  -3.868   0.100  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        0.391  -3.438  -0.082  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        2.090  -0.623  -0.303  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        1.269  -0.331  -0.823  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        2.002  -1.760   0.460  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        2.948  -2.327   0.993  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        3.357  -0.014  -0.634  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1        2.822   5.778  -0.756  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        2.963   4.293  -0.629  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1        2.884   3.555  -1.784  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        2.743   4.016  -2.674  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        2.990   2.188  -1.843  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1        2.890   1.592  -2.911  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        3.211   1.475  -0.543  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.293   2.210   0.590  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        3.510   1.646   1.968  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        3.160   3.659   0.536  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1       -2.945  -1.206   1.645  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1       -3.562  -1.899   2.861  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -3.961  -1.038   0.646  0.00  0.00    -0.366 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -3.940   0.234  -0.008  0.00  0.00    +0.196 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.759   0.423  -0.928  0.00  0.00    -0.022 A 
ATOM     31  C   LIG    1       -1.924   1.542  -0.799  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -0.834   1.714  -1.655  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.570   0.774  -2.649  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.395  -0.340  -2.790  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.489  -0.510  -1.940  0.00  0.00    +0.006 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 7