REMARK  Name = BDB020471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.331  -1.336   1.100  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -4.435  -0.933  -0.066  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -3.100  -0.583   0.390  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -2.070  -1.485   0.404  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.991  -0.781   0.888  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -1.344   0.520   1.141  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -2.279  -2.868  -0.057  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -3.261  -2.872  -1.133  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -3.256  -4.027  -2.014  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.625   0.625   0.836  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -4.396  -2.066  -1.095  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -5.364  -2.255  -1.836  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.350  -1.295   1.089  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.472  -0.717   0.433  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.752  -1.264   0.653  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.864  -0.709   0.002  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.697   0.373  -0.860  0.00  0.00    +0.045 A 
ATOM     18  N   LIG    1        2.483   0.915  -1.093  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1        2.901  -2.359   1.520  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.800  -2.913   2.170  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.418   0.374  -0.448  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.530  -2.384   1.957  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.861   1.011  -1.592  0.00  0.00    +0.042 C 
ATOM     24  C   LIG    1        5.925   1.600  -0.649  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        7.189   0.753  -0.634  0.00  0.00    +0.160 C 
ATOM     26  O   LIG    1        7.772   0.592  -1.925  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        6.857   0.558  -3.020  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        5.478   0.056  -2.624  0.00  0.00    +0.038 C 
ENDBRANCH  17  23
ENDBRANCH   5  13
BRANCH  10  29
ATOM     29  C   LIG    1       -3.440   1.881   0.933  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -3.232   2.759  -0.311  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -3.433   4.238  -0.003  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -4.416   4.390   1.015  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.951   3.936   2.289  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -3.099   2.672   2.199  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3