REMARK  Name = BDB016182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.862  -1.614  -0.372  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        2.517  -0.270  -0.089  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.293   0.033   0.533  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.368  -0.973   0.843  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        0.691  -2.295   0.527  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.913  -2.607  -0.078  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.923  -0.639   1.476  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.037  -0.131   0.725  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1       -1.877  -0.026  -0.662  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1       -0.901  -0.018  -0.950  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -2.684   0.833  -1.511  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -4.111   0.349  -1.555  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1       -4.916   0.756  -0.367  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.460   0.584   0.895  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -5.184   0.825   1.561  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -6.059   1.204  -0.513  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -2.486   2.314  -1.199  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -3.236   0.134   1.429  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -3.275  -0.032   2.830  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -2.179  -0.498   3.547  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -1.013  -0.808   2.870  0.00  0.00    +0.010 A 
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1        4.707  -3.188  -0.775  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1        4.050  -1.926  -1.065  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1        4.700  -1.129  -0.973  0.00  0.00    +0.146 HD
ENDBRANCH   1  23
BRANCH   2  25
ATOM     25  C   LIG    1        3.451   0.846  -0.414  0.00  0.00    +0.126 C 
ATOM     26  N   LIG    1        4.740   0.669  -0.530  0.00  0.00    -0.294 NA
ATOM     27  H   LIG    1        5.179   1.562  -0.792  0.00  0.00    +0.187 HD
BRANCH  25  28
ATOM     28  C   LIG    1        2.899   2.260  -0.598  0.00  0.00    +0.260 C 
ATOM     29  O   LIG    1        1.923   2.493  -1.286  0.00  0.00    -0.269 OA
ATOM     30  N   LIG    1        3.610   3.214   0.076  0.00  0.00    -0.324 N 
ATOM     31  H   LIG    1        3.249   4.159   0.075  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        4.306   2.959   0.766  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
ENDBRANCH   2  25
TORSDOF 4