REMARK  Name = BDB065094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.907   1.068  -0.333  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.916   0.103  -0.482  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        2.591  -1.251  -0.357  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.296  -1.678  -0.091  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        0.287  -0.722   0.074  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.998  -1.228   0.358  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1       -1.242  -2.545   0.433  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1       -0.198  -3.364   0.244  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1        1.067  -2.990  -0.002  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        0.604   0.653  -0.058  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        1.275   3.366  -0.519  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        2.293   2.377  -0.463  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1       -0.457  -4.777   0.330  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1       -0.670  -5.919   0.404  0.00  0.00    -0.188 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1       -2.062  -0.323   0.568  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -1.794   0.289   1.336  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -3.407  -0.896   0.769  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -4.330   0.174   1.381  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -5.106   0.939   0.311  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -5.935   0.077  -0.535  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -5.490  -1.318  -0.600  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -3.969  -1.423  -0.561  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -7.393   0.211  -0.392  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1       -7.918  -0.010   1.031  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -7.865   1.568  -0.930  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1        4.174   0.586  -0.732  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.219  -0.311  -1.111  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.988  -0.817   0.110  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.729   0.299   0.862  0.00  0.00    +0.087 C 
BRANCH  29  30
ATOM     30  N   LIG    1        7.789   0.947   0.069  0.00  0.00    -0.308 NA
ATOM     31  C   LIG    1        8.203   2.196   0.715  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1        8.952   0.076  -0.110  0.00  0.00    +0.104 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 10