REMARK  Name = BDB047314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.860  -0.926   1.232  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.070  -0.369   0.185  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1        0.617  -0.105  -1.091  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        1.976  -0.347  -1.240  0.00  0.00    +0.164 A 
ATOM      5  O   LIG    1        2.714  -0.134  -2.400  0.00  0.00    -0.407 OA
ATOM      6  C   LIG    1        4.008  -0.517  -2.026  0.00  0.00    +0.421 A 
ATOM      7  N   LIG    1        4.027  -0.967  -0.723  0.00  0.00    -0.274 N 
ATOM      8  O   LIG    1        4.969  -0.443  -2.780  0.00  0.00    -0.223 OA
ATOM      9  C   LIG    1        2.754  -0.846  -0.216  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        2.234  -1.149   1.020  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.195  -1.403  -0.002  0.00  0.00    +0.125 C 
ATOM     12  C   LIG    1        5.858  -0.263   0.755  0.00  0.00    +0.027 C 
ENDBRANCH   7  11
BRANCH   1  13
ATOM     13  C   LIG    1        0.275  -1.360   2.558  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -1.084  -3.091   3.788  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -0.549  -2.644   2.437  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  O   LIG    1       -1.280  -0.174   0.374  0.00  0.00    -0.472 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.581   1.065   1.043  0.00  0.00    +0.311 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.330   1.986   0.088  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.918   3.317  -0.085  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -2.610   4.165  -0.953  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.720   3.691  -1.649  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -4.571   4.738  -2.716  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -4.146   2.375  -1.486  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.455   1.526  -0.619  0.00  0.00    +0.009 A 
ENDBRANCH  17  18
BRANCH  17  25
ATOM     25  C   LIG    1       -2.454   0.802   2.281  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1       -3.036  -0.229   2.579  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -2.543   1.876   3.101  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1       -3.147   1.578   3.813  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH  16  17
ENDBRANCH   2  16
BRANCH   3  29
ATOM     29  C   LIG    1       -0.200   0.358  -2.269  0.00  0.00    +0.042 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.067  -0.760  -2.850  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -1.865  -0.277  -4.052  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 10