REMARK  Name = BDB018157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.125  -0.236  -1.142  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.604  -1.621  -1.549  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1        0.176  -1.291  -1.980  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -0.722  -2.512  -2.101  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -0.236  -0.234  -0.952  0.00  0.00    +0.192 C 
ATOM      6  O   LIG    1        0.969   0.551  -0.743  0.00  0.00    -0.344 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.247  -0.737   2.299  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        6.430  -0.718   1.046  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        5.046  -0.488   1.014  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.029  -0.223   1.971  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        2.840  -0.079   1.288  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        3.091  -0.269  -0.051  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1        4.435  -0.499  -0.232  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1        5.038  -0.699  -1.416  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        6.355  -0.915  -1.272  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1        7.075  -0.935  -0.133  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  O   LIG    1        2.324  -2.232  -2.617  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1        1.983  -1.834  -3.444  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  O   LIG    1        0.245  -0.699  -3.300  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1        0.338   0.269  -3.207  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   5  21
ATOM     21  C   LIG    1       -0.738  -0.790   0.393  0.00  0.00    +0.263 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.068   0.266   1.302  0.00  0.00    -0.489 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.292   0.865   1.211  0.00  0.00    +0.123 A 
ATOM     24  C   LIG    1       -3.324   0.519   0.337  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -4.534   1.204   0.328  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -4.712   2.272   1.230  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.932   2.956   1.209  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -6.918   2.566   0.309  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1       -6.662   1.494  -0.545  0.00  0.00    +0.131 A 
ATOM     30 BR   LIG    1       -8.567   3.498   0.294  0.00  0.00    -0.047 Br
ATOM     31  C   LIG    1       -3.683   2.626   2.115  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1       -5.490   0.827  -0.540  0.00  0.00    -0.231 NA
ATOM     33  C   LIG    1       -2.481   1.921   2.101  0.00  0.00    +0.046 A 
BRANCH  29  34
ATOM     34  N   LIG    1       -7.580   1.065  -1.503  0.00  0.00    -0.342 N 
ATOM     35  H   LIG    1       -8.503   0.924  -1.109  0.00  0.00    +0.144 HD
ATOM     36  H   LIG    1       -7.204   0.233  -1.947  0.00  0.00    +0.144 HD
ENDBRANCH  29  34
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7