REMARK  Name = BDB052419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.786  -0.032  -0.643  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.276   0.051   0.175  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.482  -0.085  -0.399  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.654  -0.026   0.453  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -2.787   0.350   1.756  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -1.754   0.810   2.654  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -4.064   0.276   2.203  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -4.771  -0.174   1.141  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -3.922  -0.367   0.025  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.176  -0.866  -1.356  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.082  -0.379  -2.341  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -1.694  -0.308  -1.750  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -0.548  -0.357  -2.498  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.684  -0.230  -1.968  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -6.219  -0.412   1.225  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.903  -0.836   0.299  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.762  -0.122   2.445  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -6.144   0.196   3.183  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.742  -0.283   2.611  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        2.018   0.104  -0.010  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        1.865   0.223   0.979  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        5.722   0.231   0.145  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        4.372   0.242   0.509  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        3.349   0.079  -0.447  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        3.726  -0.091  -1.782  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        5.072  -0.104  -2.157  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        6.065   0.057  -1.194  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.498   0.552   2.371  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.787   0.378   0.991  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4