REMARK  Name = BDB015021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.311   0.470   1.472  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        0.037  -0.803   0.800  0.00  0.00    -0.330 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.021  -1.330  -0.051  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        2.175  -0.621  -0.423  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        3.167  -1.175  -1.258  0.00  0.00    -0.032 A 
ATOM      6  C   LIG    1        3.010  -2.483  -1.723  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.887  -3.217  -1.359  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.913  -2.647  -0.533  0.00  0.00    +0.023 A 
BRANCH   5   9
ATOM      9  C   LIG    1        4.381  -0.359  -1.639  0.00  0.00    +0.116 C 
BRANCH   9  10
ATOM     10  N   LIG    1        5.196  -0.056  -0.463  0.00  0.00    -0.309 NA
ATOM     11  H   LIG    1        5.399  -0.931   0.022  0.00  0.00    +0.123 HD
BRANCH  10  12
ATOM     12  C   LIG    1        6.443   0.615  -0.806  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        6.274   2.038  -1.334  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        7.654   2.666  -1.151  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        8.327   1.884  -0.021  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        7.309   0.843   0.432  0.00  0.00    +0.019 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  17
ATOM     17  C   LIG    1       -1.377  -0.979   0.369  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.184  -1.609   1.524  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.475  -2.756   2.025  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.534  -2.479   1.990  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.591  -2.051   1.079  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.440  -0.971   0.542  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.835  -0.023   1.605  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.862   1.000   1.163  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.662   0.779   0.029  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.624   1.729  -0.342  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.810   2.879   0.424  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.035   3.091   1.561  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.440  -0.446  -0.818  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.068   2.156   1.931  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.651  -1.535  -0.079  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 9