REMARK  Name = BDB041029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.792   1.615   0.339  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.564   1.273   1.015  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        1.095   2.470   1.850  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        1.628   2.326   2.953  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        1.027   3.716   1.267  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        1.481   4.485   1.744  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1        0.167   3.914   0.215  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -0.031   5.065  -0.487  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1        0.659   6.324  -0.352  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -1.013   4.950  -1.399  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -1.450   3.686  -1.272  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -2.587   3.229  -2.112  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -0.716   2.980  -0.280  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.057  -1.238  -2.673  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -0.795  -0.635  -2.793  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -0.394   0.297  -1.823  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -1.220   0.629  -0.733  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -2.478   0.015  -0.640  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -2.895  -0.895  -1.609  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -1.714  -3.156  -3.997  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.607  -2.140  -3.549  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1       -0.041  -0.949  -3.894  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        1.351  -0.658  -3.824  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   2  24
ATOM     24  N   LIG    1        0.482   0.100   1.895  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1        0.469   0.298   2.890  0.00  0.00    +0.150 HD
ATOM     26  C   LIG    1        0.998  -1.116   1.499  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1        1.462  -1.320   0.382  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        1.013  -2.194   2.528  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        1.949  -3.229   2.395  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        2.010  -4.263   3.339  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        2.995  -5.383   3.174  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        1.099  -4.268   4.402  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        0.154  -3.248   4.531  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        0.107  -2.212   3.596  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH   2  24
TORSDOF 5