REMARK  Name = BDB016158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.773   1.164   0.827  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -1.721   2.399   0.137  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.450   2.926  -0.124  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.713   2.291   0.333  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.649   1.090   1.049  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1       -0.612   0.532   1.293  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.878   0.425   1.529  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.799  -0.226   0.637  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.478  -0.206  -0.728  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1        1.476  -0.094  -0.876  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1        3.066  -1.090  -1.718  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        4.543  -0.825  -1.864  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1        5.366  -1.482  -0.808  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.057  -1.365   0.504  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        5.778  -1.792   1.074  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.391  -2.101  -1.111  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        2.662  -2.547  -1.510  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        3.986  -0.759   1.192  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        4.176  -0.732   2.590  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        3.253  -0.145   3.446  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        2.117   0.441   2.916  0.00  0.00    +0.010 A 
ENDBRANCH   5   7
BRANCH   1  22
ATOM     22  C   LIG    1       -3.091   0.540   1.104  0.00  0.00    +0.074 C 
ATOM     23  N   LIG    1       -3.993   1.153   1.811  0.00  0.00    -0.298 NA
ATOM     24  H   LIG    1       -3.600   2.018   2.201  0.00  0.00    +0.187 HD
BRANCH  22  26
ATOM     25  C   LIG    1       -3.974  -0.681  -0.758  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1       -3.362  -0.761   0.436  0.00  0.00    +0.031 C 
BRANCH  25  28
ATOM     27  C   LIG    1       -5.282  -1.406  -2.751  0.00  0.00    +0.125 C 
ATOM     28  N   LIG    1       -4.394  -1.665  -1.633  0.00  0.00    -0.352 N 
ATOM     29  H   LIG    1       -4.486  -2.596  -1.238  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
BRANCH  26  30
ATOM     30  C   LIG    1       -3.022  -2.061   1.052  0.00  0.00    +0.112 C 
ATOM     31  N   LIG    1       -2.384  -2.208   2.167  0.00  0.00    -0.307 NA
ATOM     32  H   LIG    1       -2.284  -3.207   2.379  0.00  0.00    +0.186 HD
ENDBRANCH  26  30
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   2  33
ATOM     33  N   LIG    1       -2.890   2.978  -0.389  0.00  0.00    -0.346 N 
ATOM     34  H   LIG    1       -3.727   2.663   0.109  0.00  0.00    +0.146 HD
ATOM     35  C   LIG    1       -2.917   4.403  -0.669  0.00  0.00    +0.125 C 
ENDBRANCH   2  33
TORSDOF 6