REMARK  Name = BDB017155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.004   0.211   1.258  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.321   0.541   2.401  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.959   0.541  -1.466  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -5.498   0.904  -0.200  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -4.146   0.732   0.152  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.243   0.184  -0.787  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -1.891   0.011  -0.435  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.426   0.374   0.834  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -2.328   0.916   1.758  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.718  -0.177  -2.055  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.672   1.093   1.421  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -5.062   0.001  -2.388  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1       -8.200   1.205  -1.023  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -7.242   0.659  -1.923  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1        1.026  -0.361   0.277  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1        2.453   0.044   0.707  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1        3.415  -0.706  -0.105  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        3.395  -2.141   0.229  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1        2.046  -2.631   0.775  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1        0.873  -1.888   0.145  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1        4.802  -0.231  -0.150  0.00  0.00    +0.059 C 
ATOM     22  C   LIG    1        4.909   1.136  -0.859  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        5.935   1.551   0.232  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1        5.319   0.445   1.136  0.00  0.00    +0.037 C 
BRANCH  23  25
ATOM     25  C   LIG    1        7.329   1.364  -0.119  0.00  0.00    +0.066 C 
ATOM     26  N   LIG    1        8.444   1.209  -0.400  0.00  0.00    -0.196 NA
ENDBRANCH  23  25
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 5