REMARK  Name = BDB018407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.014   0.243   0.639  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.873   0.362  -0.433  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.724  -0.721  -0.403  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.402  -1.562   0.615  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.395  -0.963   1.251  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.387   0.745   1.381  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -1.020   1.174   1.004  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.744   2.495   1.034  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.664   3.450   1.427  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.254   4.846   1.440  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.939   3.113   1.851  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -3.785   3.906   2.254  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.273   1.672   1.793  0.00  0.00    +0.079 A 
BRANCH   6  18
ATOM     14  C   LIG    1       -3.437  -3.808  -0.262  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1       -3.281  -2.630   0.557  0.00  0.00    -0.274 N 
ATOM     16  N   LIG    1       -3.644  -2.671   1.853  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -3.365  -1.442   2.298  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1       -2.811  -0.623   1.291  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -2.789  -1.418   0.167  0.00  0.00    +0.116 A 
ENDBRANCH   6  18
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  C   LIG    1        2.816  -1.040  -1.262  0.00  0.00    +0.079 A 
ATOM     21  C   LIG    1        3.460  -0.102  -2.084  0.00  0.00    +0.084 A 
ATOM     22  C   LIG    1        4.479  -0.502  -2.964  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        4.886  -1.833  -3.006  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.289  -2.765  -2.162  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.265  -2.374  -1.294  0.00  0.00    +0.028 A 
BRANCH  21  26
ATOM     26  C   LIG    1        3.231   1.349  -2.010  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        2.712   1.993  -2.902  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.684   1.867  -0.850  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        4.153   1.233  -0.271  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH   3  20
TORSDOF 5