REMARK  Name = BDB025179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.487  -0.653   0.451  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.280  -1.328   0.197  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.299  -2.754  -0.215  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.734  -3.666   0.946  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        2.962  -3.297  -0.742  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.259  -2.261  -1.588  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.010  -1.065  -0.717  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.798  -0.346  -0.773  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.311  -0.590  -1.537  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.194   0.342  -1.231  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1       -0.670   1.219  -0.296  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.606   0.776   0.019  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.592   1.233   0.898  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.797   0.518   0.944  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.030  -0.615   0.151  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.610   0.528   0.756  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.286   2.408   0.289  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -1.647   3.501  -0.732  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -3.022   4.105  -0.464  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -3.199   4.474   0.936  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -2.597   5.265   1.168  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.962   3.378   1.879  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1       -2.434   2.090   1.249  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        7.835  -0.815   0.493  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        6.579  -1.459   0.276  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.570   0.399  -1.845  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -2.445   0.663  -3.351  0.00  0.00    +0.016 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -3.338  -0.924  -1.619  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.798  -1.121  -0.192  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -2.959  -1.738   0.745  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.370  -1.893   2.069  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.624  -1.435   2.469  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.468  -0.823   1.544  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.058  -0.665   0.219  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 5