REMARK  Name = BDB052620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.133   0.407  -0.717  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.365  -0.898  -0.594  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.715  -1.123  -0.311  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.606  -0.052  -0.157  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.109   1.252  -0.288  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.759   1.479  -0.572  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.022  -0.292   0.156  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        5.068  -0.121  -0.775  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        6.403  -0.333  -0.384  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.709  -0.717   0.921  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.687  -0.894   1.846  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.359  -0.683   1.467  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        4.794   0.243  -2.191  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        3.825  -0.049  -2.862  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        5.787   0.993  -2.708  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        5.485   1.171  -3.624  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.579   0.675  -1.063  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.888   0.282   1.074  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.514  -0.051  -0.213  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -3.232  -1.168  -0.590  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1       -4.008  -1.466   0.525  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1       -4.873  -2.571   0.494  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1       -4.934  -3.351  -0.666  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -4.145  -3.032  -1.771  0.00  0.00    +0.020 A 
ATOM     25 BR   LIG    1       -4.248  -4.110  -3.325  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1       -3.275  -1.935  -1.763  0.00  0.00    +0.043 A 
ATOM     27  N   LIG    1       -3.784  -0.570   1.533  0.00  0.00    -0.232 NA
BRANCH  18  28
ATOM     28  C   LIG    1       -2.356   1.443   1.854  0.00  0.00    +0.074 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -3.815   3.264   0.832  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.417   2.518   2.097  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7