REMARK  Name = BDB063660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.722  -1.202   1.810  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -0.081  -0.981   0.678  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -1.474  -0.868   0.788  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -2.062  -0.987   2.047  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.273  -1.205   3.180  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.111  -1.309   3.064  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.197  -0.646  -0.404  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -1.641  -0.579  -1.245  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -3.556  -0.416  -0.528  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -4.370  -0.293   0.379  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -4.039  -0.266  -1.930  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.514  -1.035  -2.978  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -4.001  -0.867  -4.278  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -5.013   0.060  -4.527  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -5.608   0.263  -6.128  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -5.552   0.817  -3.487  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -5.069   0.649  -2.187  0.00  0.00    +0.014 A 
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        2.222  -1.297   1.682  0.00  0.00    +0.264 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.864  -0.192   2.343  0.00  0.00    -0.487 OA
BRANCH  19  21
ATOM     20  C   LIG    1        4.313   0.865   0.697  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1        3.135   0.821   1.457  0.00  0.00    +0.133 A 
ATOM     22  C   LIG    1        2.194   1.853   1.363  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        2.397   2.906   0.471  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        3.544   2.938  -0.319  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.498   1.924  -0.206  0.00  0.00    +0.017 A 
BRANCH  20  29
ATOM     26  N   LIG    1        5.480  -0.896   1.925  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        4.895  -0.701   2.729  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        6.279  -1.505   2.035  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1        5.399  -0.151   0.784  0.00  0.00    +0.245 C 
ATOM     30  O   LIG    1        6.213  -0.299  -0.119  0.00  0.00    -0.270 OA
ENDBRANCH  20  29
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6