REMARK  Name = BDB065240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.406   0.755   0.039  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -5.633  -0.411  -0.068  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -4.247  -0.322   0.069  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -3.613   0.924   0.310  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -4.392   2.085   0.392  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1       -3.866   3.295   0.590  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1       -2.530   3.362   0.703  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1       -1.684   2.326   0.653  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1       -2.223   1.109   0.469  0.00  0.00    +0.135 A 
ATOM     10  C   LIG    1       -5.771   1.982   0.261  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -8.580   1.754   0.005  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -7.762   0.596  -0.095  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1       -6.319  -1.576  -0.295  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -5.566  -2.747  -0.579  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1       -1.956   4.667   0.900  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1       -1.497   5.726   1.057  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1       -1.375  -0.030   0.450  0.00  0.00    -0.299 N 
ATOM     18  H   LIG    1       -1.702  -0.699   1.140  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.031  -0.080   0.324  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        0.718  -1.204   0.790  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.107  -1.326   0.629  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        2.871  -0.348  -0.023  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        2.160   0.750  -0.525  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        0.770   0.879  -0.366  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.240  -0.479  -0.181  0.00  0.00    -0.327 N 
ATOM     26  C   LIG    1        4.997   0.357  -1.127  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.344  -0.317  -1.482  0.00  0.00    +0.103 C 
ATOM     28  N   LIG    1        7.239  -0.530  -0.324  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1        8.146  -1.647  -0.575  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        6.469  -0.716   0.923  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1        5.040  -1.288   0.757  0.00  0.00    +0.120 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 6