REMARK  Name = BDB045678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.550  -0.116  -1.105  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        0.919  -1.156  -1.816  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1        1.673  -2.035  -2.778  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -0.455  -1.362  -1.636  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -1.195  -0.566  -0.759  0.00  0.00    +0.145 A 
ATOM      6  F   LIG    1       -2.512  -0.801  -0.704  0.00  0.00    -0.204 F 
ATOM      7  C   LIG    1       -0.595   0.457  -0.025  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1        0.779   0.676  -0.228  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        7.435   1.786  -2.619  0.00  0.00    +0.217 A 
ATOM     10  N   LIG    1        7.012   0.971  -1.649  0.00  0.00    -0.195 NA
ATOM     11  C   LIG    1        5.711   0.733  -1.541  0.00  0.00    +0.165 A 
ATOM     12  C   LIG    1        4.790   1.311  -2.404  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        3.419   1.036  -2.265  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        2.982   0.177  -1.256  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.970  -0.360  -0.423  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        3.628  -1.293   0.706  0.00  0.00    +0.066 C 
ATOM     17  C   LIG    1        5.316   2.147  -3.369  0.00  0.00    +0.126 A 
ATOM     18  N   LIG    1        5.295  -0.083  -0.569  0.00  0.00    -0.232 NA
ATOM     19  N   LIG    1        6.628   2.401  -3.489  0.00  0.00    -0.222 NA
BRANCH   9  21
ATOM     20  C   LIG    1        9.554   2.042  -1.554  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        8.788   2.051  -2.780  0.00  0.00    -0.316 N 
ATOM     22  H   LIG    1        8.851   2.899  -3.331  0.00  0.00    +0.149 HD
ENDBRANCH   9  21
ENDBRANCH   1  14
BRANCH   7  23
ATOM     23  N   LIG    1       -1.221   1.329   0.891  0.00  0.00    -0.267 N 
ATOM     24  H   LIG    1       -0.654   2.098   1.229  0.00  0.00    +0.156 HD
ATOM     25  C   LIG    1       -2.420   1.372   1.525  0.00  0.00    +0.304 C 
ATOM     26  N   LIG    1       -3.288   0.345   1.373  0.00  0.00    -0.299 N 
ATOM     27  H   LIG    1       -3.241  -0.121   0.480  0.00  0.00    +0.150 HD
ATOM     28  O   LIG    1       -2.641   2.325   2.273  0.00  0.00    -0.253 OA
BRANCH  26  29
ATOM     29  C   LIG    1       -4.598   0.385   1.995  0.00  0.00    +0.106 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.271  -0.987   1.930  0.00  0.00    +0.025 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.684  -1.073   2.564  0.00  0.00    -0.036 C 
ATOM     32  C   LIG    1       -7.198  -2.517   2.398  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -7.667  -0.121   1.863  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -6.640  -0.741   4.065  0.00  0.00    +0.010 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   7  23
TORSDOF 6