REMARK  Name = BDB008089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.281  -0.010  -1.137  0.00  0.00    +0.174 C 
ENDROOT
BRANCH   1   3
ATOM      2  CA  LIG    1       -0.305  -2.601  -1.282  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.505  -1.404  -0.592  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -0.979  -1.754   0.725  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -1.042  -3.144   0.793  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.456  -3.836   1.939  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.820  -3.076   3.053  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.780  -1.687   3.023  0.00  0.00    +0.021 A 
ATOM      9 CL   LIG    1       -2.331  -3.881   4.488  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -1.366  -1.016   1.865  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.652  -3.624  -0.429  0.00  0.00    -0.349 N 
ATOM     12  H   LIG    1       -0.619  -4.601  -0.691  0.00  0.00    +0.166 HD
BRANCH   2  14
ATOM     13  O   LIG    1        0.582  -2.018  -3.430  0.00  0.00    -0.243 OA
ATOM     14  C   LIG    1        0.158  -2.829  -2.623  0.00  0.00    +0.354 C 
BRANCH  14  15
ATOM     15  OXT LIG    1        0.109  -4.143  -2.931  0.00  0.00    -0.476 OA
ATOM     16  HXT LIG    1        0.430  -4.159  -3.858  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   2  14
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.547   0.853  -0.143  0.00  0.00    +0.235 C 
ATOM     18  N   LIG    1        1.869   0.453  -0.017  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        2.095  -0.477  -0.351  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        0.082   1.816   0.466  0.00  0.00    -0.274 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.759   1.050   0.971  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        2.494   0.476   2.376  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1        3.375  -0.733   2.667  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        4.862  -0.374   2.622  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.178   0.808   1.704  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        4.220   0.871   0.521  0.00  0.00    +0.022 C 
ENDBRANCH  18  21
ENDBRANCH   1  17
BRANCH   1  27
ATOM     27  N   LIG    1       -1.611   0.574  -1.389  0.00  0.00    -0.298 NA
ATOM     28  H   LIG    1       -1.972   0.909  -0.494  0.00  0.00    +0.123 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -1.528   1.716  -2.297  0.00  0.00    +0.117 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.869   2.402  -2.407  0.00  0.00    -0.034 A 
ATOM     31  C   LIG    1       -3.859   1.899  -3.263  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.103   2.525  -3.350  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.373   3.653  -2.578  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.401   4.153  -1.712  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.156   3.529  -1.623  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 8