REMARK  Name = BDB052415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.534  -2.099  -0.618  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.262  -1.031  -0.461  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        1.582  -1.268  -0.474  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.482  -0.142  -0.309  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        2.253   1.200  -0.378  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        1.008   1.877  -0.654  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        3.369   1.940  -0.171  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        4.351   1.031   0.025  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        3.835  -0.284  -0.068  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.469  -1.624   0.080  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.656  -2.711  -0.669  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        2.159  -2.522  -0.611  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        1.259  -3.540  -0.787  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.075  -3.353  -0.796  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        5.736   1.440   0.298  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.659   0.658   0.501  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        5.925   2.793   0.314  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        5.116   3.391   0.186  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.829   3.174   0.542  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -1.921  -1.980  -0.657  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -2.320  -2.888  -0.847  0.00  0.00    +0.155 HD
BRANCH  20  25
ATOM     22  C   LIG    1       -4.679   1.086   0.287  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -5.076  -0.051  -0.419  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -4.146  -1.059  -0.706  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -2.808  -0.965  -0.292  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -2.425   0.185   0.403  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -3.347   1.198   0.696  0.00  0.00    +0.013 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -7.071   2.062   0.222  0.00  0.00    +0.091 C 
ATOM     29  C   LIG    1       -5.624   2.193   0.620  0.00  0.00    +0.160 C 
ATOM     30  O   LIG    1       -5.215   3.193   1.208  0.00  0.00    -0.292 OA
ENDBRANCH  22  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 4