REMARK  Name = BDB058076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.766   0.610   1.527  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.647   2.103   1.187  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.077   2.570   1.365  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.876   1.383   0.831  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -2.111   0.201   1.183  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1        5.630   0.021   0.569  0.00  0.00    +0.220 C 
ATOM      7  N   LIG    1        4.189  -0.068   0.638  0.00  0.00    -0.290 N 
ATOM      8  C   LIG    1        3.581  -1.082  -0.087  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        2.140  -1.024   0.047  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        1.564  -0.044   0.841  0.00  0.00    +0.148 A 
ATOM     11  N   LIG    1        2.195   0.932   1.552  0.00  0.00    -0.219 NA
ATOM     12  N   LIG    1        0.199  -0.217   0.802  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -0.088  -1.307   0.008  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        1.097  -1.817  -0.482  0.00  0.00    +0.033 A 
ATOM     15  N   LIG    1        4.106  -2.007  -0.808  0.00  0.00    -0.266 NA
ATOM     16  C   LIG    1        5.569  -2.019  -0.863  0.00  0.00    +0.148 C 
ATOM     17  C   LIG    1        3.489   0.852   1.408  0.00  0.00    +0.205 A 
ATOM     18  C   LIG    1        6.154  -0.625  -0.707  0.00  0.00    +0.077 C 
BRANCH   6  19
ATOM     19  O   LIG    1        6.200  -0.598   1.711  0.00  0.00    -0.372 OA
ATOM     20  H   LIG    1        5.640  -1.371   1.900  0.00  0.00    +0.212 HD
ENDBRANCH   6  19
ENDBRANCH   1  12
BRANCH   2  21
ATOM     21  O   LIG    1        0.222   2.837   2.055  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1        1.083   2.361   2.023  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   3  23
ATOM     23  O   LIG    1       -2.332   2.748   2.770  0.00  0.00    -0.386 OA
ATOM     24  H   LIG    1       -1.546   3.225   3.109  0.00  0.00    +0.210 HD
ENDBRANCH   3  23
BRANCH   4  25
ATOM     25  C   LIG    1       -3.065   1.421  -0.707  0.00  0.00    +0.176 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.024   0.356  -1.211  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1       -5.393   0.410  -0.897  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -6.270  -0.570  -1.367  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -5.786  -1.611  -2.155  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -6.865  -2.818  -2.736  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -4.433  -1.680  -2.478  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -3.555  -0.699  -2.009  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
BRANCH  25  33
ATOM     33  O   LIG    1       -3.533   2.702  -1.130  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -4.009   2.576  -1.971  0.00  0.00    +0.210 HD
ENDBRANCH  25  33
ENDBRANCH   4  25
TORSDOF 7