REMARK  Name = BDB046655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.611   1.016   0.409  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -3.602   1.900   0.042  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -3.497   2.900  -0.025  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -4.744   1.199  -0.247  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -4.394  -0.132  -0.049  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -5.361  -1.133  -0.268  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -6.648  -0.741  -0.680  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -6.965   0.607  -0.871  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -6.014   1.610  -0.658  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -3.072  -0.221   0.349  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.102   0.787   1.078  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -0.221   0.459   0.733  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -1.249   1.412   0.781  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -0.933   2.713   1.198  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.377   3.052   1.546  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.390   2.095   1.486  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        2.190  -0.266   1.024  0.00  0.00    +0.119 C 
BRANCH  17  22
ATOM     18  C   LIG    1        6.660  -0.425  -0.764  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1        5.268  -0.764  -1.041  0.00  0.00    -0.303 NA
ATOM     20  C   LIG    1        4.425   0.443  -1.087  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1        2.928   0.107  -1.292  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        2.365  -0.850  -0.315  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1        3.247  -2.036  -0.268  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1        4.747  -1.722  -0.050  0.00  0.00    +0.099 C 
ENDBRANCH  17  22
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  C   LIG    1       -5.064  -2.573  -0.080  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -5.915  -3.433  -0.275  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1       -3.803  -2.907   0.321  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -3.566  -3.880   0.442  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -3.092  -2.193   0.469  0.00  0.00    +0.145 HD
ENDBRANCH   6  25
TORSDOF 4