REMARK  Name = BDB012775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.897   0.196   0.916  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.158  -0.530   0.385  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.481  -0.435   0.989  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.382  -1.286   0.087  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.721  -1.124  -1.280  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.236  -1.128  -0.942  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.720   0.963   1.861  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.267   0.255  -0.476  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.953  -1.033  -0.664  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.729  -1.149  -0.127  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.312  -2.072  -0.084  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.195   0.028   0.315  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.206   0.954   0.148  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.420   1.297   0.279  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.607   0.779  -0.909  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.467   1.865  -1.978  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.771  -0.878   0.089  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        4.066  -0.138  -0.533  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.588  -1.196   1.150  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1        4.242  -1.918   2.076  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.953  -0.601   1.152  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1        6.686  -0.202  -0.107  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        6.180   0.858   0.829  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4