REMARK  Name = BDB019165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.204  -1.693   1.299  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.287  -2.468  -0.015  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.140  -2.980  -0.125  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.969  -1.805   0.418  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.131  -1.155   1.403  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.429  -0.835  -0.708  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1        2.360   0.286  -0.237  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1        3.566   0.555  -0.921  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1        4.419   1.580  -0.486  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1        4.062   2.380   0.597  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        2.850   2.160   1.241  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        2.391   3.170   2.558  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.955  -0.279  -2.113  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1        2.716  -0.916  -2.720  0.00  0.00    +0.165 C 
ATOM     15  C   LIG    1        2.002   1.132   0.827  0.00  0.00    +0.026 A 
ATOM     16  O   LIG    1        2.055  -1.673  -1.709  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     17  C   LIG    1       -4.667   3.443   0.902  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1       -3.590   2.487   0.494  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -3.313   1.285   1.164  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -3.834   0.608   2.298  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -3.114  -0.557   2.454  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1       -2.171  -0.616   1.451  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1       -2.285   0.499   0.654  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1       -1.536   0.777  -0.427  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1       -1.883   1.947  -0.989  0.00  0.00    +0.223 A 
ATOM     26  N   LIG    1       -2.850   2.801  -0.603  0.00  0.00    -0.240 NA
ENDBRANCH   1  22
BRANCH   2  27
ATOM     27  O   LIG    1       -2.216  -3.554   0.026  0.00  0.00    -0.385 OA
ATOM     28  H   LIG    1       -1.734  -4.288   0.462  0.00  0.00    +0.210 HD
ENDBRANCH   2  27
BRANCH   3  29
ATOM     29  O   LIG    1        0.251  -4.129   0.744  0.00  0.00    -0.386 OA
ATOM     30  H   LIG    1        1.173  -4.441   0.678  0.00  0.00    +0.210 HD
ENDBRANCH   3  29
TORSDOF 4