REMARK  Name = BDB016229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.215  -0.108   2.480  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.036  -0.815   1.137  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.114  -0.175   0.261  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.330   1.104  -0.164  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1       -2.583   1.725  -0.315  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.634   3.069  -0.734  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.481   3.789  -1.023  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.246   3.171  -0.903  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1       -3.853   1.159  -0.094  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.653   1.774  -0.206  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.263  -0.084   0.249  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.473  -0.285   0.382  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.152   1.832  -0.486  0.00  0.00    +0.080 A 
ATOM     14  C   LIG    1       -3.290  -1.206   0.395  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.249   1.282  -0.395  0.00  0.00    +0.252 C 
ATOM     16  N   LIG    1        1.373  -0.093  -0.406  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        0.499  -0.609  -0.418  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        2.183   2.077  -0.344  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.550  -0.864  -0.353  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.400  -2.257  -0.345  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.517  -3.097  -0.294  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.802  -2.551  -0.253  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        4.959  -1.163  -0.262  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        3.837  -0.325  -0.313  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.950  -3.408  -0.201  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1        6.874  -4.108  -0.159  0.00  0.00    -0.191 NA
ENDBRANCH  22  25
ENDBRANCH  16  19
ENDBRANCH  13  15
TORSDOF 3