REMARK  Name = BDB008569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.700   0.298  -0.374  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.164   0.861   0.751  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -0.207   0.609   0.741  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.943   1.097   1.837  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.261   1.794   2.834  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.107   1.975   2.710  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -0.501  -0.139  -0.456  0.00  0.00    -0.001 A 
ATOM      8  N   LIG    1        1.869   1.527   1.689  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        0.713  -0.299  -1.114  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.857  -0.616  -0.930  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -1.822  -1.457  -2.214  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.588  -1.325   0.149  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -3.856  -0.942   0.618  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -4.546  -1.712   1.297  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.396   0.460   0.263  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -5.191   0.989   1.341  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -5.729   2.270   0.989  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -6.593   2.182  -0.278  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -5.841   1.627  -1.419  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.487   1.473  -2.193  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.257   0.333  -1.011  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.157  -2.682   0.468  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -0.781  -3.048   0.962  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.941  -3.099   1.903  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.109   0.337  -0.727  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.911  -0.729   0.018  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.386  -0.696  -0.359  0.00  0.00    +0.109 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.284   0.915  -0.312  0.00  0.00    +0.400 C 
ATOM     29  N   LIG    1        6.036   0.521   0.077  0.00  0.00    -0.281 N 
ATOM     30  H   LIG    1        5.734   0.967   0.936  0.00  0.00    +0.152 HD
ATOM     31  O   LIG    1        7.865   1.844   0.232  0.00  0.00    -0.226 OA
BRANCH  28  33
ATOM     32  C   LIG    1        9.080   0.572  -1.763  0.00  0.00    +0.282 C 
ATOM     33  O   LIG    1        7.777   0.174  -1.336  0.00  0.00    -0.454 OA
ENDBRANCH  28  33
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9