REMARK  Name = BDB053687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.217  -0.596   1.189  0.00  0.00    +0.108 A 
ATOM      2  C   LIG    1       -0.142  -1.797   1.855  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -1.164  -2.397   1.123  0.00  0.00    +0.149 A 
ATOM      4  N   LIG    1       -1.732  -3.592   1.418  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1       -1.256  -4.182   2.533  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -0.261  -3.675   3.349  0.00  0.00    +0.020 A 
ATOM      7  N   LIG    1       -1.451  -1.589   0.019  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        0.320  -2.459   3.009  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -0.666  -0.433   0.126  0.00  0.00    +0.220 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.300   0.729   2.776  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.259   0.331   1.613  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.208   0.713   0.671  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.151   1.769   1.028  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.785   2.422  -0.212  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.449   1.490  -1.140  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        5.452   1.473  -0.953  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.926   0.118  -1.028  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.447   0.034  -0.608  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.399  -1.879  -1.024  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.487  -2.733  -0.791  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.407  -3.013  -1.807  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.251  -2.449  -3.069  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.173  -1.605  -3.318  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.251  -1.322  -2.305  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1       -0.853   0.595  -0.713  0.00  0.00    -0.439 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.829   1.899  -0.281  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1       -0.273   2.839  -1.150  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -0.229   4.185  -0.789  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -0.755   4.594   0.436  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.334   3.659   1.294  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -1.381   2.312   0.933  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4