REMARK  Name = BDB032695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.074   1.510   1.673  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.852   0.458   1.732  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.935   0.506   0.874  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.042  -0.445   0.730  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        3.827   0.008  -0.321  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.397   1.317  -0.794  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.209  -1.423   1.432  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.135   1.544  -0.034  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.229   2.584  -0.112  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.119   2.559   0.743  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.145  -0.522  -0.651  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.200  -0.065   0.368  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.149   1.011   0.963  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.301  -0.880   0.503  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.010  -0.561   1.149  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.603  -2.014  -0.209  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.691  -2.569  -0.082  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.574  -2.479  -1.212  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.175  -2.042  -0.810  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.290   1.502   2.565  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.294   0.654   1.996  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -4.093   0.327   0.769  0.00  0.00    -0.248 N 
ATOM     23  H   LIG    1       -3.873  -0.623   1.045  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -3.238   1.277   1.244  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -3.281   2.482   1.050  0.00  0.00    -0.226 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -5.926  -0.701  -0.398  0.00  0.00    +0.141 A 
ATOM     27  C   LIG    1       -5.225   0.477  -0.055  0.00  0.00    +0.080 A 
ATOM     28  C   LIG    1       -5.668   1.712  -0.534  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -6.799   1.774  -1.347  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1       -7.346   3.295  -1.939  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -7.493   0.616  -1.688  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -7.058  -0.623  -1.214  0.00  0.00    +0.049 A 
BRANCH  26  34
ATOM     33  C   LIG    1       -6.084  -3.077  -0.203  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -5.411  -1.866   0.122  0.00  0.00    -0.493 OA
ENDBRANCH  26  34
ENDBRANCH  22  27
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6