REMARK  Name = BDB028983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.116   4.797   0.747  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1        0.833   3.577   0.024  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1        1.663   2.473   0.258  0.00  0.00    +0.263 A 
ATOM      4  O   LIG    1        2.600   2.485   1.050  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1        1.294   1.308  -0.522  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        1.818  -0.008  -0.648  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.026  -0.656  -1.584  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        0.056   0.218  -2.014  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1        0.213   1.415  -1.371  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1       -0.584   2.488  -1.567  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -0.234   3.521  -0.863  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.941  -0.656   0.010  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        3.876  -1.388  -0.737  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        4.969  -2.025  -0.120  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        5.117  -1.918   1.269  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        4.181  -1.188   2.014  0.00  0.00    +0.084 A 
ATOM     17 CL   LIG    1        4.349  -1.058   3.730  0.00  0.00    -0.080 Cl
ATOM     18  C   LIG    1        3.100  -0.563   1.394  0.00  0.00    +0.032 A 
BRANCH  14  19
ATOM     19  C   LIG    1        5.896  -2.779  -1.015  0.00  0.00    +0.245 C 
ATOM     20  O   LIG    1        5.688  -2.879  -2.219  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        6.992  -3.364  -0.455  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        7.619  -3.892  -1.044  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        7.160  -3.312   0.545  0.00  0.00    +0.145 HD
ENDBRANCH  14  19
BRANCH  15  24
ATOM     24  O   LIG    1        6.170  -2.522   1.917  0.00  0.00    -0.505 OA
ATOM     25  H   LIG    1        6.084  -2.306   2.867  0.00  0.00    +0.292 HD
ENDBRANCH  15  24
ENDBRANCH   6  12
BRANCH   8  26
ATOM     26  C   LIG    1       -0.975  -0.081  -2.997  0.00  0.00    +0.218 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.386  -0.127  -2.436  0.00  0.00    +0.233 C 
ATOM     28  N   LIG    1       -2.524  -0.604  -1.144  0.00  0.00    -0.311 N 
ATOM     29  H   LIG    1       -1.701  -0.600  -0.554  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -3.357   0.154  -3.139  0.00  0.00    -0.274 OA
BRANCH  28  31
ATOM     31  C   LIG    1       -3.812  -0.584  -0.467  0.00  0.00    +0.073 C 
ATOM     32  C   LIG    1       -3.822  -1.579   0.694  0.00  0.00    +0.022 C 
ATOM     33  C   LIG    1       -5.194  -1.655   1.368  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -5.989  -0.351   1.288  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -5.076   0.866   1.236  0.00  0.00    +0.002 C 
ATOM     36  C   LIG    1       -4.154   0.838   0.015  0.00  0.00    +0.022 C 
ENDBRANCH  28  31
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 6