REMARK  Name = BDB014558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.603   0.214   2.931  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.893   1.344   1.763  0.00  0.00    -0.273 OA
ATOM      3  C   LIG    1        2.918   0.157   2.077  0.00  0.00    +0.239 C 
ATOM      4  N   LIG    1        1.875  -0.464   2.735  0.00  0.00    -0.311 N 
ATOM      5  H   LIG    1        1.815  -1.474   2.674  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        4.090  -0.792   1.765  0.00  0.00    +0.255 C 
BRANCH   6   7
ATOM      7  O   LIG    1        5.348  -0.218   1.452  0.00  0.00    -0.366 OA
BRANCH   7   8
ATOM      8  C   LIG    1        5.410   0.413   0.173  0.00  0.00    +0.197 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.485  -0.583  -0.951  0.00  0.00    -0.004 A 
ATOM     10  C   LIG    1        6.334  -1.684  -0.885  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        6.451  -2.612  -1.862  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1        5.693  -2.432  -2.964  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        4.826  -1.367  -3.136  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        4.727  -0.425  -2.115  0.00  0.00    +0.009 A 
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.277   0.101   1.681  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.529  -1.292   1.422  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -1.363  -1.297   0.905  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.626   0.823   1.871  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.553   0.501   0.761  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.944   0.807   1.159  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.944   0.609   0.040  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.537   0.659  -1.305  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.482   0.508  -2.326  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.830   0.332  -2.017  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.242   0.305  -0.687  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.076   0.804  -1.645  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -6.305   0.443   0.338  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.228   1.271  -0.455  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 9