REMARK  Name = BDB050190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.007  -0.877  -0.141  0.00  0.00    -0.076 C 
ATOM      2  C   LIG    1        0.845  -0.528  -0.729  0.00  0.00    -0.028 C 
ATOM      3  C   LIG    1        2.132  -1.452   1.244  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        3.319  -0.720  -0.891  0.00  0.00    +0.034 C 
BRANCH   4   5
ATOM      5  C   LIG    1        4.116   0.507  -0.434  0.00  0.00    +0.032 C 
BRANCH   5   8
ATOM      6  C   LIG    1        7.834   0.705  -1.706  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1        6.654   0.402  -0.828  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1        5.391   0.664  -1.221  0.00  0.00    -0.016 C 
BRANCH   7   9
ATOM      9  C   LIG    1        7.025  -0.180   0.482  0.00  0.00    +0.332 C 
ATOM     10  O   LIG    1        8.051   0.060   1.094  0.00  0.00    -0.246 OA
BRANCH   9  11
ATOM     11  O   LIG    1        6.155  -1.102   0.921  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        6.557  -1.418   1.757  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   5   8
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   2  13
ATOM     13  C   LIG    1       -0.548  -0.653  -0.168  0.00  0.00    +0.031 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.075   0.702   0.325  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.491   0.753   0.891  0.00  0.00    -0.076 C 
ATOM     16  C   LIG    1       -3.308  -0.319   0.963  0.00  0.00    -0.020 C 
ATOM     17  C   LIG    1       -2.876   2.138   1.352  0.00  0.00    +0.039 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -4.711  -0.403   1.510  0.00  0.00    +0.101 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.748  -0.695   0.480  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -6.326   0.057  -0.530  0.00  0.00    -0.009 A 
ATOM     21  C   LIG    1       -6.031   1.467  -0.879  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1       -7.256  -0.811  -1.168  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -7.182  -2.016  -0.511  0.00  0.00    +0.195 A 
ATOM     24  O   LIG    1       -6.270  -1.955   0.490  0.00  0.00    -0.467 OA
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   2  13
TORSDOF 10