REMARK  Name = BDB003894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.152   0.651   1.195  0.00  0.00    +0.203 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.336   0.803   0.354  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -2.476  -0.047  -0.728  0.00  0.00    +0.217 C 
ATOM      4  O   LIG    1       -1.723  -0.988  -0.962  0.00  0.00    -0.276 OA
ATOM      5  C   LIG    1       -3.632   0.289  -1.644  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1       -4.886   0.700  -0.849  0.00  0.00    +0.057 C 
ATOM      7  C   LIG    1       -5.336  -0.527  -0.029  0.00  0.00    +0.226 C 
ATOM      8  O   LIG    1       -4.965  -0.733   1.126  0.00  0.00    -0.275 OA
ATOM      9  N   LIG    1       -6.069  -1.481  -0.674  0.00  0.00    -0.256 N 
ATOM     10  H   LIG    1       -5.941  -2.325  -0.122  0.00  0.00    +0.157 HD
ATOM     11  C   LIG    1       -7.426  -1.323  -0.638  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -8.121  -2.139  -0.032  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -8.047  -0.198  -1.436  0.00  0.00    +0.096 C 
ATOM     14  C   LIG    1       -7.378   1.162  -1.290  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -5.963   1.151  -1.862  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -4.557   1.866   0.127  0.00  0.00    +0.035 C 
ATOM     17  C   LIG    1       -3.060   2.057   0.375  0.00  0.00    +0.109 C 
ENDBRANCH   1   2
BRANCH   1  23
ATOM     18  C   LIG    1        5.108  -1.003   1.131  0.00  0.00    +0.403 C 
ATOM     19  N   LIG    1        3.964  -0.233   1.169  0.00  0.00    -0.264 N 
ATOM     20  C   LIG    1        3.025  -0.377   2.277  0.00  0.00    +0.130 C 
ATOM     21  C   LIG    1        1.568  -0.223   1.820  0.00  0.00    +0.127 C 
ATOM     22  N   LIG    1        1.327   0.994   1.035  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1        0.062   1.452   0.680  0.00  0.00    +0.233 C 
ATOM     24  O   LIG    1       -0.085   2.488   0.027  0.00  0.00    -0.274 OA
ATOM     25  C   LIG    1        2.511   1.703   0.539  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1        3.635   0.745   0.127  0.00  0.00    +0.130 C 
ATOM     27  O   LIG    1        5.404  -1.812   2.001  0.00  0.00    -0.226 OA
BRANCH  18  28
ATOM     28  O   LIG    1        5.850  -0.753   0.022  0.00  0.00    -0.445 OA
BRANCH  28  30
ATOM     29  C   LIG    1        6.819  -2.960  -0.448  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.087  -1.468  -0.229  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1        7.627  -0.866  -1.536  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        8.113  -1.227   0.882  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH   1  23
TORSDOF 4