REMARK  Name = BDB057278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.296  -1.079   0.940  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.461  -1.994   1.545  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.035  -1.853   1.832  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.264  -3.009   2.786  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.703  -4.095   2.321  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.943  -3.316   1.907  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -3.467  -1.367   0.670  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.827  -1.980   0.556  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.054  -1.358   0.652  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.228  -0.710   1.409  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.474  -2.603  -0.441  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.926  -1.263  -0.500  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1        4.250  -0.678  -0.099  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        4.313   0.684  -0.425  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        5.422   1.446  -0.103  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.490   0.819   0.544  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.431  -0.546   0.866  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.044   1.133  -1.083  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        5.302  -1.305   0.550  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.445  -0.212  -1.523  0.00  0.00    +0.032 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1       -1.736   0.325   0.611  0.00  0.00    +0.162 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -1.418   1.512  -1.558  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -2.110   0.626  -0.764  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -3.031   0.341  -1.095  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -0.376   2.055  -1.198  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -2.050   1.690  -2.960  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -1.489   2.939  -3.638  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -4.223   1.504  -4.063  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -3.525   1.738  -2.808  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -3.791   2.648  -2.430  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -2.230   1.425   1.584  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -1.672   1.235   2.996  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -3.755   1.562   1.644  0.00  0.00    +0.009 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 7