REMARK  Name = BDB062875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.315  -1.516   1.945  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.010  -0.946   0.907  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -0.672   0.138   0.390  0.00  0.00    -0.295 N 
ATOM      4  H   LIG    1       -0.408   0.520  -0.512  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.092  -1.459   0.075  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.221  -0.719  -0.251  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.711   0.597   0.133  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        3.920   0.853  -0.541  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.240  -0.331  -1.359  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        5.205  -0.479  -2.079  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        4.650   2.018  -0.400  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.147   2.978   0.474  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.953   2.744   1.179  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.234   1.549   1.018  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.154  -1.304  -1.130  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.033  -2.577  -1.661  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.915  -3.319  -1.293  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        0.951  -2.766  -0.432  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  CA  LIG    1       -1.886   0.662   1.007  0.00  0.00    +0.213 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.104  -0.004   0.391  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -3.749  -1.042   1.084  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.852  -1.686   0.524  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -5.635  -2.951   1.388  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -5.324  -1.315  -0.733  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -4.683  -0.298  -1.439  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.576   0.349  -0.885  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     27  C   LIG    1       -1.901   2.187   0.853  0.00  0.00    +0.330 C 
ATOM     28  O   LIG    1       -1.308   2.832  -0.002  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  OXT LIG    1       -2.683   2.814   1.757  0.00  0.00    -0.479 OA
ATOM     30  HXT LIG    1       -2.619   3.764   1.526  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  19  27
ENDBRANCH   3  19
TORSDOF 5