REMARK  Name = BDB050177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.457  -0.174  -0.590  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1       -2.592  -0.060  -1.680  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.229  -0.331  -1.541  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.709  -0.721  -0.302  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -1.579  -0.833   0.790  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.944  -0.562   0.647  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.687   0.004   0.211  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1       -4.765   0.121  -0.864  0.00  0.00    -0.495 OA
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  C   LIG    1        0.767  -1.006  -0.145  0.00  0.00    +0.040 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.540   0.131   0.561  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1        1.661   1.398  -0.306  0.00  0.00    +0.084 C 
ATOM     12  N   LIG    1        2.525   1.193  -1.472  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1        2.565   2.058  -2.012  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        3.880   0.817  -1.068  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        3.883  -0.459  -0.227  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1        2.947  -0.337   0.974  0.00  0.00    +0.006 C 
ENDBRANCH   9  10
ENDBRANCH   4   9
TORSDOF 3