REMARK  Name = BDB023897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.474   3.024   3.717  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.397   2.784   2.690  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.659   1.847   1.696  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.600   1.698   0.671  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.868   0.533  -0.219  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.142   0.017  -1.329  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1       -0.806  -1.013  -1.889  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.888  -1.200  -1.107  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.994  -0.258  -0.133  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.073  -0.069   0.863  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.023   1.390   1.359  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.335   3.405   2.758  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.102   0.491  -1.916  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.225   0.745  -1.105  0.00  0.00    +0.099 A 
ATOM     15  C   LIG    1        3.394   1.206  -1.702  0.00  0.00    +0.067 A 
ATOM     16  N   LIG    1        4.276   1.355  -0.661  0.00  0.00    -0.338 N 
ATOM     17  H   LIG    1        5.225   1.681  -0.747  0.00  0.00    +0.167 HD
ATOM     18  C   LIG    1        3.657   0.979   0.509  0.00  0.00    +0.141 A 
ATOM     19  C   LIG    1        3.528   1.427  -3.075  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.411   1.151  -3.869  0.00  0.00    +0.003 A 
ATOM     21  N   LIG    1        2.416   0.609   0.253  0.00  0.00    -0.227 NA
ATOM     22  C   LIG    1        1.220   0.689  -3.305  0.00  0.00    +0.012 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.287   0.987   1.829  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        3.538   0.659   2.959  0.00  0.00    +0.122 A 
ATOM     25  N   LIG    1        4.027   0.618   4.226  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.329   0.928   4.382  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.164   1.272   3.332  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.635   1.300   2.041  0.00  0.00    +0.014 A 
ENDBRANCH  18  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -2.777  -2.322  -1.377  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -2.107  -3.664  -1.046  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -2.680  -4.795  -1.889  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -4.063  -4.557  -2.133  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -4.280  -3.465  -3.029  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -3.307  -2.310  -2.812  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3