REMARK  Name = BDB057244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.257   2.255  -0.675  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.686   1.766   0.402  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.375   1.902   1.766  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1       -1.272   1.421   2.724  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.467   0.801   2.337  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.792   0.653   0.985  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.894   1.145   0.029  0.00  0.00    +0.018 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -4.016  -0.002   0.544  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1       -4.260  -0.318  -0.791  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -5.437  -0.882  -0.779  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1       -6.359  -1.478  -1.763  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -7.345  -2.240  -0.841  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1       -7.253  -1.559   0.538  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1       -5.950  -0.936   0.477  0.00  0.00    -0.334 N 
ATOM     15  C   LIG    1       -5.080  -0.394   1.348  0.00  0.00    +0.115 A 
ENDBRANCH   6   8
BRANCH   3  16
ATOM     16  O   LIG    1        0.815   2.515   2.051  0.00  0.00    -0.495 OA
ATOM     17  C   LIG    1        1.213   2.583   3.413  0.00  0.00    +0.277 C 
ENDBRANCH   3  16
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1        2.612   2.048  -1.259  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        1.425   1.400  -0.907  0.00  0.00    -0.293 N 
ATOM     20  O   LIG    1        2.702   3.259  -1.455  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     21  C   LIG    1        5.499  -0.288  -0.543  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        4.325   0.450  -0.381  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        3.848   1.250  -1.422  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        4.565   1.355  -2.616  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.739   0.620  -2.780  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.201  -0.204  -1.748  0.00  0.00    +0.045 A 
BRANCH  21  28
ATOM     27  C   LIG    1        7.055  -1.795   0.439  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.852  -1.043   0.542  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  18  23
BRANCH  19  29
ATOM     29  C   LIG    1        1.190  -0.018  -1.198  0.00  0.00    +0.112 C 
BRANCH  29  30
ATOM     30  C   LIG    1        1.175  -0.850   0.051  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1        1.431  -2.336  -0.037  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        0.058  -1.836   0.302  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 8