REMARK  Name = BDB059217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.715   3.486   0.713  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.448   2.139   0.563  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.666   1.506   0.278  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.722   0.097   0.074  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.565  -0.587   0.159  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.698   0.161   0.455  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.686   2.417   0.250  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.731   1.456   0.652  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.105   3.586   0.507  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.062   5.266   2.352  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.262   4.580   1.022  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.334   5.609  -0.108  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -1.912  -0.479   0.543  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.668   0.206   0.627  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.273  -1.654  -0.227  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.747  -2.017   0.007  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.690  -0.946  -0.581  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -6.055  -1.526  -1.012  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.471  -2.655  -0.175  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -6.540  -2.354   0.797  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.532  -3.779  -0.269  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -4.087  -3.382  -0.597  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -4.862   0.089   0.391  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -5.474  -0.240   1.072  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.924  -0.562  -0.204  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        2.887  -1.575  -0.136  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.262  -0.004  -0.108  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.270  -1.103  -0.356  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.856  -1.791   0.716  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.766  -2.823   0.481  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.093  -3.182  -0.825  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.509  -2.513  -1.899  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.599  -1.480  -1.667  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8