REMARK  Name = BDB063840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.220  -1.961   3.459  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.862  -1.258   2.535  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.588  -0.915   1.282  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.814  -1.389   1.025  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.812  -0.064   0.525  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.273   0.099   1.222  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.303  -0.579   2.390  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.020  -0.559   3.091  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.639  -1.111  -0.162  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.037  -1.067  -0.001  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -5.856  -0.839  -1.122  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.269  -0.673  -2.370  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1       -6.311  -0.472  -3.235  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1       -6.262  -0.313  -4.235  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1       -7.524  -0.497  -2.653  0.00  0.00    -0.181 NA
ATOM     16  C   LIG    1       -3.889  -0.726  -2.571  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -7.242  -0.720  -1.366  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1       -3.089  -0.953  -1.442  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1        1.299   0.889   0.814  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1        1.148   1.228  -0.133  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.696   0.730   1.188  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        3.281  -0.524   0.509  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1        4.774  -0.446   0.203  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        5.158   0.454  -0.980  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.073   1.390  -1.507  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        3.614   2.468  -0.530  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        3.447   2.045   0.928  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3