REMARK  Name = BDB004878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.529  -2.556  -0.180  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.587  -1.534  -0.428  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.528  -1.385   0.489  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.605  -0.346   0.234  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.694   0.423  -0.857  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.728   0.206  -1.667  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.420  -2.265   1.597  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.354  -3.267   1.820  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.677  -0.721  -1.503  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.409  -3.409   0.934  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.903  -2.013  -2.147  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.246  -1.270  -2.368  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.683  -2.196  -2.761  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.708  -2.818  -1.065  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.494  -3.732  -0.835  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.460  -0.143   1.130  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.069  -0.057   2.064  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.442   0.947   0.916  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.834   2.316   1.192  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -0.463   3.202   0.169  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.096   4.448   0.468  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        0.294   4.827   1.792  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -0.063   3.962   2.822  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.621   2.716   2.525  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.275   0.785  -0.390  0.00  0.00    +0.108 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.905  -0.550  -0.463  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -2.168  -1.235  -0.271  0.00  0.00    +0.122 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -3.528  -0.801  -1.762  0.00  0.00    +0.054 C 
ATOM     29  C   LIG    1       -4.942  -0.353  -2.001  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -4.635  -1.814  -1.841  0.00  0.00    +0.020 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 7