REMARK  Name = BDB031540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.432  -0.508   0.368  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1        0.005  -0.761   0.069  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        0.437  -2.141   0.532  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        0.354   0.440   1.004  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -1.090   0.903   0.680  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -2.237  -0.597  -0.856  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1       -9.921   0.479   1.071  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -8.485   0.143   0.824  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -7.933  -1.025   1.583  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -8.623  -1.673   2.363  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -6.615  -1.341   1.367  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -6.255  -2.129   1.888  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -5.793  -0.632   0.485  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -6.305   0.452  -0.224  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -5.583   1.187  -1.097  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -4.292   0.818  -1.264  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -3.683  -0.249  -0.603  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -4.465  -0.989   0.293  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -7.700   0.829  -0.025  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  O   LIG    1        1.395   1.344   0.561  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.694   0.921   0.630  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.586   1.479  -0.281  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        4.905   1.180  -0.344  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        5.356   0.279   0.575  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        4.545  -0.317   1.534  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        3.191   0.017   1.562  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.815  -0.056   0.516  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1        7.504   0.623  -0.470  0.00  0.00    -0.307 N 
ATOM     29  H   LIG    1        6.954   1.266  -1.036  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1        7.316  -0.863   1.290  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1        8.894   0.452  -0.719  0.00  0.00    +0.073 C 
ATOM     32  C   LIG    1        9.364  -0.239  -1.968  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1        9.580   1.236  -1.803  0.00  0.00    +0.024 C 
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6