REMARK  Name = BDB017570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.271   2.252  -1.451  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.705   0.881  -1.189  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.437  -0.189  -0.617  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.726  -1.373  -0.321  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.349  -2.421   0.365  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.827  -3.244   0.629  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.634  -2.378   0.815  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.440  -1.200   0.413  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.914  -1.262   0.720  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.733  -0.357  -0.203  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -7.085   1.014  -0.312  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.692   0.876  -0.720  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.540   1.061  -1.709  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -5.101  -3.291   1.488  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.377  -1.540  -0.655  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.673  -0.508  -1.274  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.894  -0.175  -0.275  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.347   0.691  -1.534  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.779  -0.685  -1.665  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.652   0.391  -1.171  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.830   0.361   0.297  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.118  -0.329   0.809  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        4.324   0.258   0.195  0.00  0.00    -0.323 N 
ATOM     24  C   LIG    1        4.126   0.976  -1.075  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        2.957   0.348  -1.868  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.536   0.284   0.878  0.00  0.00    +0.101 A 
ATOM     27  C   LIG    1        6.545   1.234   0.613  0.00  0.00    +0.148 A 
ATOM     28  F   LIG    1        6.357   2.195  -0.306  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1        7.767   1.258   1.295  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        8.032   0.315   2.282  0.00  0.00    +0.057 A 
ATOM     31  C   LIG    1        7.070  -0.646   2.577  0.00  0.00    +0.059 A 
ATOM     32  C   LIG    1        5.855  -0.653   1.884  0.00  0.00    +0.148 A 
ATOM     33  F   LIG    1        4.992  -1.632   2.201  0.00  0.00    -0.203 F 
BRANCH  30  34
ATOM     34  C   LIG    1        9.280   0.331   2.985  0.00  0.00    +0.099 C 
ATOM     35  N   LIG    1       10.291   0.344   3.553  0.00  0.00    -0.191 NA
ENDBRANCH  30  34
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 4