REMARK  Name = BDB045142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.847  -2.115  -1.072  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.109  -3.457  -1.760  0.00  0.00    +0.346 C 
ATOM      3  O   LIG    1       -3.104  -3.706  -2.426  0.00  0.00    -0.247 OA
BRANCH   2   4
ATOM      4  O   LIG    1       -1.118  -4.365  -1.577  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.412  -3.974  -1.017  0.00  0.00    +0.295 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  O   LIG    1       -0.620  -2.273  -0.337  0.00  0.00    -0.477 OA
BRANCH   6  10
ATOM      7  C   LIG    1        2.335   0.643  -0.005  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        2.486  -0.630   0.545  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.463  -1.570   0.403  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.288  -1.254  -0.288  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        0.145   0.022  -0.835  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        1.166   0.970  -0.693  0.00  0.00    +0.013 A 
BRANCH   7  14
ATOM     13  N   LIG    1        4.501   1.423   0.758  0.00  0.00    -0.093 NA
ATOM     14  C   LIG    1        3.393   1.661   0.132  0.00  0.00    +0.160 C 
BRANCH  13  16
ATOM     15  C   LIG    1        6.513   2.308   1.404  0.00  0.00    +0.313 C 
ATOM     16  O   LIG    1        5.297   2.577   0.717  0.00  0.00    -0.397 OA
ENDBRANCH  13  16
ENDBRANCH   7  14
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1       -3.014  -1.837  -0.114  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.136  -0.378   0.258  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -2.564   0.109   1.441  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.655   1.464   1.763  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.319   2.343   0.909  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.894   1.868  -0.268  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.804   0.514  -0.594  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8