REMARK  Name = BDB012162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.425  -0.121   0.659  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1        1.520  -1.300   0.292  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1        0.059  -0.975   0.579  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -0.159  -0.470   1.936  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -1.410  -0.518   2.562  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.666   0.152   3.563  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.760   0.567   2.403  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1        2.221   0.235   2.132  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1        7.872   2.219  -2.611  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        6.750   1.556  -1.865  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1        6.989   0.387  -1.129  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        5.924  -0.152  -0.441  0.00  0.00    +0.067 A 
ATOM     13  N   LIG    1        5.891  -1.288   0.356  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1        6.655  -1.907   0.569  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1        4.598  -1.449   0.873  0.00  0.00    +0.328 A 
ATOM     16  N   LIG    1        3.821  -0.386   0.355  0.00  0.00    -0.289 N 
ATOM     17  O   LIG    1        4.248  -2.343   1.624  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1        4.652   0.418  -0.446  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        4.397   1.576  -1.149  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.462   2.147  -1.859  0.00  0.00    +0.005 A 
ENDBRANCH   1  16
BRANCH   5  21
ATOM     21  C   LIG    1       -2.440  -1.475   1.973  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.806  -1.401   2.666  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.583  -0.121   2.346  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.071  -0.110   0.916  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -6.188  -0.859   0.659  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -6.660  -1.360   1.399  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -6.746  -0.973  -0.588  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -7.746  -1.650  -0.794  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.062  -0.231  -1.660  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -4.927   0.504  -1.308  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -4.261   1.219  -2.306  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -4.722   1.196  -3.626  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -5.856   0.455  -3.961  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.533  -0.263  -2.976  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -4.432   0.550   0.006  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5