REMARK  Name = BDB018752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.334   0.642   0.462  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.720   0.424  -0.443  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -2.041   0.745  -0.106  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.160   0.595  -1.103  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -4.497   0.310  -0.409  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.542  -1.100   0.207  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -5.898  -1.651  -0.097  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -6.696  -0.596  -0.766  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -4.716   1.345   0.696  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -3.627   1.646   1.473  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -3.810   2.222   2.286  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -5.812   1.839   0.954  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.651   0.296  -1.415  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -2.314   1.301   1.145  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -1.286   1.544   2.051  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.028   1.209   1.712  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.373  -0.364  -0.574  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.366  -1.325  -0.679  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.052  -0.996  -0.333  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.720   0.298   0.106  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        2.745   1.257   0.182  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        4.062   0.935  -0.163  0.00  0.00    +0.013 A 
BRANCH  17  25
ATOM     23  C   LIG    1        6.663  -0.242   1.324  0.00  0.00    +0.132 C 
ATOM     24  N   LIG    1        6.807  -0.445  -0.111  0.00  0.00    -0.304 N 
ATOM     25  C   LIG    1        5.751  -0.721  -0.979  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1        5.900  -1.235  -2.086  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        8.160  -0.667  -0.590  0.00  0.00    +0.132 C 
ENDBRANCH  17  25
ENDBRANCH   1  20
BRANCH   7  28
ATOM     28  C   LIG    1       -6.438  -2.693   0.551  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -6.897  -3.593   1.115  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 3