REMARK  Name = BDB007746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.439   0.397   1.946  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.083   1.694   0.030  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.461   0.633   0.514  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1        1.707  -0.093   1.410  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        2.162  -0.836   1.924  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.796   0.077   0.163  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        4.812   0.970  -0.196  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        6.077   0.487  -0.525  0.00  0.00    +0.163 A 
ATOM      9  O   LIG    1        7.033   1.421  -0.834  0.00  0.00    -0.485 OA
ATOM     10  C   LIG    1        8.346   0.850  -0.827  0.00  0.00    +0.270 C 
ATOM     11  C   LIG    1        8.358  -0.481  -1.559  0.00  0.00    +0.270 C 
ATOM     12  O   LIG    1        7.530  -1.436  -0.884  0.00  0.00    -0.485 OA
ATOM     13  C   LIG    1        6.321  -0.891  -0.537  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1        5.311  -1.783  -0.184  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        4.045  -1.303   0.162  0.00  0.00    +0.017 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.683   0.493   0.887  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.568   1.738   0.182  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.379   1.843  -0.062  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.077   0.440   1.566  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.185  -0.030   0.700  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.425  -0.114   1.501  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.662  -0.449   0.695  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.700  -0.222  -0.690  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.868  -0.505  -1.411  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -8.001  -0.988  -0.756  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.973  -1.196   0.621  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.466   0.261  -1.404  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.811  -0.925   1.344  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.412   0.854  -0.456  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6