REMARK  Name = BDB016278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.006   1.412   0.444  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -2.118   0.734  -0.120  0.00  0.00    +0.151 A 
ATOM      3  O   LIG    1       -1.795  -0.437  -0.752  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.807  -1.434  -0.827  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.750  -1.072  -1.951  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.856  -0.213  -1.425  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -4.597   0.814  -0.575  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -5.444   1.330  -0.368  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -6.021  -0.394  -1.788  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.092  -2.748  -1.135  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -3.400   1.300  -0.013  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -3.550   2.501   0.707  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.459   3.155   1.275  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -1.188   2.617   1.133  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        4.750  -0.460  -0.351  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        3.842   0.519  -0.769  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        2.533   0.528  -0.239  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.398   1.354  -0.450  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1        0.360   0.887   0.337  0.00  0.00    +0.053 A 
ATOM     20  N   LIG    1        0.850  -0.194   1.043  0.00  0.00    -0.343 N 
ATOM     21  C   LIG    1        0.120  -0.971   2.022  0.00  0.00    +0.149 C 
ATOM     22  C   LIG    1        2.167  -0.440   0.696  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        3.066  -1.428   1.124  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        4.357  -1.416   0.584  0.00  0.00    +0.047 A 
BRANCH  15  26
ATOM     25  C   LIG    1        6.493   0.357  -1.748  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        6.045  -0.585  -0.781  0.00  0.00    -0.495 OA
ENDBRANCH  15  26
ENDBRANCH   1  19
TORSDOF 2