REMARK  Name = BDB018871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.794   1.166  -0.901  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.416   1.418  -0.868  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -0.425   0.443  -0.359  0.00  0.00    +0.041 A 
ATOM      4  N   LIG    1       -1.835   0.458  -0.227  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1       -2.253  -0.895   0.183  0.00  0.00    +0.118 C 
ATOM      6  C   LIG    1       -1.000  -1.644   0.642  0.00  0.00    +0.057 C 
ATOM      7  C   LIG    1       -2.654   1.528  -0.547  0.00  0.00    +0.241 C 
ATOM      8  O   LIG    1       -2.218   2.630  -0.900  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        0.094  -0.772   0.107  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        1.462  -1.053   0.079  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1        2.308  -0.063  -0.445  0.00  0.00    +0.022 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        2.012  -2.322   0.563  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        2.070  -2.604   1.937  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.597  -3.814   2.396  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.074  -4.756   1.488  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.025  -4.491   0.121  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.499  -3.281  -0.338  0.00  0.00    +0.008 A 
ENDBRANCH  10  12
BRANCH   7  18
ATOM     18  C   LIG    1       -4.167   1.405  -0.362  0.00  0.00    +0.170 C 
ATOM     19  N   LIG    1       -4.837   0.132  -0.790  0.00  0.00    -0.258 N 
ATOM     20  C   LIG    1       -5.883  -0.202   0.221  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -5.979   1.018   1.123  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.574   1.585   1.099  0.00  0.00    +0.034 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.924  -0.237  -2.077  0.00  0.00    +0.170 C 
ATOM     24  N   LIG    1       -5.006  -0.571  -3.182  0.00  0.00    -0.174 NA
ENDBRANCH  19  23
ENDBRANCH   7  18
BRANCH   1  27
ATOM     25  N   LIG    1        3.959   2.278  -0.896  0.00  0.00    -0.312 N 
ATOM     26  H   LIG    1        4.092   1.837   0.004  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        2.696   2.213  -1.454  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        2.301   2.973  -2.329  0.00  0.00    -0.270 OA
BRANCH  25  30
ATOM     29  C   LIG    1        6.279   3.056  -0.831  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1        4.854   3.360  -1.249  0.00  0.00    +0.101 C 
ENDBRANCH  25  30
ENDBRANCH   1  27
TORSDOF 5