REMARK  Name = BDB019004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.124  -2.332  -0.623  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.873  -1.360  -0.339  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.052  -1.684   0.358  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.027  -0.701   0.600  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.878   0.607   0.118  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.728   0.944  -0.611  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.286  -3.072   0.892  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.407  -4.086   0.183  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.750  -0.047  -0.833  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.025  -3.575   0.164  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.267   0.005   0.654  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        3.425  -0.940  -0.165  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1        4.180  -1.550  -1.158  0.00  0.00    -0.025 A 
ATOM     14  C   LIG    1        3.565  -2.425  -2.024  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.204  -2.668  -1.831  0.00  0.00    +0.044 A 
ATOM     16  C   LIG    1        1.504  -2.019  -0.796  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1        5.594  -1.075  -1.128  0.00  0.00    +0.038 C 
ATOM     18  N   LIG    1        2.109  -1.138   0.039  0.00  0.00    -0.236 NA
ATOM     19  C   LIG    1        5.682  -0.493   0.294  0.00  0.00    +0.024 C 
BRANCH  11  23
ATOM     20  C   LIG    1        2.299   3.182   0.045  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        2.720   1.874   0.474  0.00  0.00    -0.318 N 
ATOM     22  H   LIG    1        2.018   1.136   0.510  0.00  0.00    +0.148 HD
ATOM     23  C   LIG    1        4.022   1.457   0.269  0.00  0.00    +0.222 C 
ATOM     24  O   LIG    1        4.910   2.205  -0.132  0.00  0.00    -0.275 OA
ENDBRANCH  11  23
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  C   LIG    1       -3.928   1.567   0.389  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -4.304   1.967   1.653  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1       -5.312   2.871   1.478  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1       -6.037   3.576   2.507  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -5.615   3.091   0.186  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -4.779   2.287  -0.477  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1       -1.520   2.324  -1.179  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1       -2.296   2.558  -2.274  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -0.238   2.551  -1.590  0.00  0.00    -0.204 F 
ENDBRANCH   6  31
TORSDOF 4