REMARK  Name = BDB004541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.989  -0.730   0.240  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.178  -0.276  -0.369  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.067   0.453   0.445  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.266   0.907  -0.144  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.562   0.649  -1.498  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.674  -0.056  -2.292  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.760   0.701   1.738  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.595   0.237   2.206  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.489  -0.513  -1.732  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.702  -0.474   1.523  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.304   1.686   0.603  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.340   2.060   0.062  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.079   1.980   1.915  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.766   2.517   2.422  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.220   1.691   2.373  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.068  -1.483  -0.527  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1        0.557  -2.316  -0.847  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.195  -1.856   0.148  0.00  0.00    +0.115 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -5.065   2.523   0.452  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.085   1.392   0.354  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -4.026   0.416   1.354  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.089  -0.618   1.280  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -2.181  -0.694   0.212  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1       -2.239   0.298  -0.780  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -3.175   1.332  -0.706  0.00  0.00    +0.004 A 
ENDBRANCH  18  23
BRANCH  18  26
ATOM     26  C   LIG    1       -1.830  -3.057  -0.628  0.00  0.00    +0.104 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -1.946  -2.852  -2.086  0.00  0.00    -0.328 NA
ATOM     28  H   LIG    1       -1.138  -2.298  -2.379  0.00  0.00    +0.118 HD
ATOM     29  H   LIG    1       -2.737  -2.223  -2.245  0.00  0.00    +0.118 HD
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6