REMARK  Name = BDB008668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.953  -0.714  -0.453  0.00  0.00    +0.045 A 
ATOM      2  N   LIG    1        1.459  -1.829  -1.037  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1        0.119  -1.965  -1.070  0.00  0.00    +0.215 A 
ATOM      4  C   LIG    1       -0.759  -1.037  -0.536  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.251   0.117   0.076  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1        1.139   0.268   0.114  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.228   1.127   0.669  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1       -0.605   2.270   1.484  0.00  0.00    +0.033 C 
BRANCH   7   9
ATOM      9  N   LIG    1       -2.146   1.691  -0.364  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1       -3.548   1.707  -0.212  0.00  0.00    +0.246 C 
ATOM     11  O   LIG    1       -4.307   2.238  -1.030  0.00  0.00    -0.273 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.153   1.032   1.041  0.00  0.00    +0.217 C 
ATOM     13  O   LIG    1       -3.892  -0.384   1.003  0.00  0.00    -0.365 OA
ATOM     14  C   LIG    1       -4.971  -1.185   1.495  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -5.695  -0.530   2.679  0.00  0.00    +0.109 C 
ATOM     16  N   LIG    1       -6.292   0.774   2.350  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -7.291   0.667   2.172  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.663   1.351   1.141  0.00  0.00    +0.122 C 
ENDBRANCH  10  12
BRANCH   9  19
ATOM     19  C   LIG    1       -1.484   2.333  -1.504  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -1.998   2.225  -2.913  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -1.989   3.558  -2.214  0.00  0.00    +0.024 C 
ENDBRANCH   9  19
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  22
ATOM     22  C   LIG    1        3.454  -0.581  -0.407  0.00  0.00    +0.057 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.009  -1.022   0.949  0.00  0.00    +0.025 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.535  -0.986   0.990  0.00  0.00    +0.108 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.053   1.307   1.744  0.00  0.00    +0.400 C 
ATOM     26  N   LIG    1        6.079   0.337   0.790  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1        6.579   0.565  -0.059  0.00  0.00    +0.152 HD
ATOM     28  O   LIG    1        5.535   1.206   2.845  0.00  0.00    -0.226 OA
BRANCH  25  30
ATOM     29  C   LIG    1        6.730   3.493   2.196  0.00  0.00    +0.282 C 
ATOM     30  O   LIG    1        6.690   2.405   1.272  0.00  0.00    -0.454 OA
ENDBRANCH  25  30
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   3  31
ATOM     31  O   LIG    1       -0.454  -3.074  -1.659  0.00  0.00    -0.474 OA
BRANCH  31  32
ATOM     32  C   LIG    1        0.468  -4.026  -2.202  0.00  0.00    +0.169 C 
ATOM     33  C   LIG    1       -0.253  -5.372  -2.215  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        0.854  -3.629  -3.625  0.00  0.00    +0.051 C 
ENDBRANCH  31  32
ENDBRANCH   3  31
TORSDOF 11