REMARK  Name = BDB003930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.167   1.482  -0.134  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.385   0.736   0.272  0.00  0.00    +0.083 A 
ATOM      3  N   LIG    1        2.296  -0.463   0.930  0.00  0.00    -0.134 NA
ATOM      4  N   LIG    1        3.524  -0.897   1.172  0.00  0.00    -0.065 NA
ATOM      5  N   LIG    1        4.380   0.018   0.681  0.00  0.00    -0.240 N 
ATOM      6  C   LIG    1        3.714   1.054   0.096  0.00  0.00    +0.134 A 
BRANCH   5   7
ATOM      7  C   LIG    1        5.821  -0.197   0.751  0.00  0.00    +0.195 C 
ATOM      8  C   LIG    1        6.295   0.093   2.175  0.00  0.00    +0.244 C 
ATOM      9  O   LIG    1        5.909   1.066   2.822  0.00  0.00    -0.273 OA
ATOM     10  N   LIG    1        7.244  -0.740   2.723  0.00  0.00    -0.255 N 
ATOM     11  H   LIG    1        7.361  -0.558   3.715  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1        8.485  -0.961   2.181  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        9.459  -1.091   2.920  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        8.638  -0.902   0.680  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1        7.664  -1.781  -0.091  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        6.186  -1.606   0.262  0.00  0.00    +0.037 C 
ENDBRANCH   5   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.768   1.244  -1.594  0.00  0.00    +0.006 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.356  -0.194  -1.933  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.821  -0.755  -1.127  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.115   0.064  -1.180  0.00  0.00    +0.002 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.712   0.163  -2.587  0.00  0.00    +0.019 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.995   0.995  -2.636  0.00  0.00    +0.107 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.483   0.750  -0.680  0.00  0.00    +0.401 C 
ATOM     24  N   LIG    1       -5.087   0.372  -1.926  0.00  0.00    -0.281 N 
ATOM     25  H   LIG    1       -5.552  -0.438  -2.310  0.00  0.00    +0.152 HD
ATOM     26  O   LIG    1       -5.006   1.673  -0.041  0.00  0.00    -0.226 OA
BRANCH  23  27
ATOM     27  O   LIG    1       -6.478  -0.073  -0.278  0.00  0.00    -0.445 OA
BRANCH  27  29
ATOM     28  C   LIG    1       -8.145  -1.024   1.104  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -7.082   0.083   1.032  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1       -6.058  -0.149   2.148  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -7.781   1.441   1.166  0.00  0.00    +0.055 C 
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11