REMARK  Name = BDB054673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.339   0.073  -2.004  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        1.200  -0.087  -2.882  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        1.242  -0.173  -4.165  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -0.031  -0.147  -2.207  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.147  -0.061  -0.816  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.992   0.092  -0.021  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        2.292   0.169  -0.549  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        3.302   0.311   0.241  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.440  -0.134  -0.203  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.523  -0.198   0.313  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.810  -0.277   0.927  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -3.995   0.205   2.225  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -5.253   0.127   2.829  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1       -6.330  -0.435   2.133  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -6.143  -0.917   0.832  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -4.884  -0.837   0.231  0.00  0.00    +0.010 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -7.621  -0.518   2.752  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1       -8.666  -0.584   3.253  0.00  0.00    -0.191 NA
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1        3.651   0.145  -2.609  0.00  0.00    +0.058 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.427   0.367  -2.751  0.00  0.00    -0.048 C 
ATOM     21  C   LIG    1        5.152   0.251  -2.915  0.00  0.00    -0.030 C 
ATOM     22  C   LIG    1        7.462   0.382  -3.891  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1        6.833   0.484  -1.402  0.00  0.00    +0.026 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.757   0.575   0.128  0.00  0.00    +0.030 C 
BRANCH  24  27
ATOM     25  C   LIG    1        5.702   2.019   3.503  0.00  0.00    +0.026 C 
ATOM     26  C   LIG    1        5.657   0.655   2.733  0.00  0.00    -0.048 C 
ATOM     27  C   LIG    1        6.238   0.626   1.573  0.00  0.00    -0.034 C 
ATOM     28  C   LIG    1        5.901  -0.576   3.670  0.00  0.00    +0.026 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8