REMARK  Name = BDB002008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.128   1.440   0.087  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        0.513   0.203  -0.060  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        1.548  -0.783  -0.193  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.766  -0.099  -0.179  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        4.005  -0.739  -0.291  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        4.016  -2.134  -0.404  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.829  -2.861  -0.398  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.601  -2.192  -0.288  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.482   1.234  -0.028  0.00  0.00    -0.348 N 
ATOM     10  H   LIG    1        3.172   1.970   0.024  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1       -0.872   0.084  -0.013  0.00  0.00    -0.267 N 
ATOM     12  H   LIG    1       -1.369   0.955   0.130  0.00  0.00    +0.156 HD
ATOM     13  C   LIG    1       -1.629  -0.938  -0.533  0.00  0.00    +0.307 C 
ATOM     14  N   LIG    1       -2.972  -0.876  -0.180  0.00  0.00    -0.281 N 
ATOM     15  C   LIG    1       -3.900  -1.843  -0.765  0.00  0.00    +0.137 C 
ATOM     16  C   LIG    1       -5.330  -1.296  -0.764  0.00  0.00    +0.179 C 
ATOM     17  O   LIG    1       -5.818  -0.935   0.537  0.00  0.00    -0.377 OA
ATOM     18  C   LIG    1       -4.786  -0.648   1.489  0.00  0.00    +0.179 C 
ATOM     19  C   LIG    1       -3.539  -0.014   0.863  0.00  0.00    +0.137 C 
ATOM     20  O   LIG    1       -1.209  -1.823  -1.272  0.00  0.00    -0.252 OA
ENDBRANCH   2  11
BRANCH   1  21
ATOM     21  C   LIG    1        0.521   2.729   0.298  0.00  0.00    +0.358 C 
ATOM     22  O   LIG    1       -0.683   2.928   0.414  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1        1.486   3.691   0.356  0.00  0.00    -0.460 OA
BRANCH  23  25
ATOM     24  C   LIG    1        2.155   5.971   0.600  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        0.978   5.015   0.561  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   7  26
ATOM     26  O   LIG    1        2.726  -4.225  -0.482  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        3.930  -4.953  -0.676  0.00  0.00    +0.277 C 
ENDBRANCH   7  26
TORSDOF 5