REMARK  Name = BDB049058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.063   1.420  -1.143  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.426   2.418   0.002  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.751   1.829   0.536  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.551   0.382   0.421  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.994   0.206  -0.927  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        2.164   0.257  -1.271  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.370   0.025  -0.139  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        0.018   0.394  -0.085  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.599   1.015  -1.174  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        0.170   1.236  -2.319  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        1.522   0.863  -2.360  0.00  0.00    +0.023 A 
BRANCH   6  14
ATOM     12  C   LIG    1        5.736  -0.402  -0.575  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1        4.260  -0.505  -0.129  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        3.489  -0.113  -1.317  0.00  0.00    -0.328 N 
ATOM     15  C   LIG    1        4.363   0.106  -2.462  0.00  0.00    +0.107 C 
ATOM     16  C   LIG    1        5.649  -0.619  -2.081  0.00  0.00    +0.042 C 
BRANCH  12  19
ATOM     17  C   LIG    1        7.901  -2.275   1.908  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        6.835  -1.329   1.423  0.00  0.00    +0.210 C 
ATOM     19  N   LIG    1        6.639  -1.349   0.061  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        7.348  -1.787  -0.512  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        6.208  -0.604   2.187  0.00  0.00    -0.276 OA
ENDBRANCH  12  19
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1       -2.540   3.844  -0.412  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -2.958   4.691   0.712  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -1.267   4.349  -0.938  0.00  0.00    +0.104 C 
ENDBRANCH   2  22
BRANCH   4  25
ATOM     25  C   LIG    1       -4.796  -0.363   0.630  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.595  -1.864   0.650  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.170  -2.635  -0.370  0.00  0.00    +0.128 A 
ATOM     28  F   LIG    1       -5.886  -2.041  -1.337  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.019  -4.018  -0.419  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.277  -4.662   0.563  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.694  -3.919   1.590  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.851  -2.523   1.655  0.00  0.00    -0.043 A 
ATOM     33  C   LIG    1       -3.174  -1.770   2.768  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 6