REMARK  Name = BDB004670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.080  -1.063   0.408  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.969  -0.298   0.822  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.716  -0.611   0.260  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.621   0.178   0.673  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.746   1.147   1.592  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.968   1.361   2.073  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.597  -1.680  -0.665  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.702  -2.424  -1.055  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.080   0.701   1.727  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.942  -2.112  -0.523  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.679   0.169   1.813  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.905   0.733   2.154  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.609   0.318   2.175  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.470  -0.833   0.914  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.413  -1.522   0.537  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.655  -0.075   0.140  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.622  -0.105  -0.873  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.749   0.764   0.616  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -3.044   0.208   0.082  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -3.510   0.954  -1.007  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -4.671   0.599  -1.673  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.377  -0.519  -1.225  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.912  -1.270  -0.133  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.571   2.072  -1.327  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.734  -0.911   0.525  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -1.756   2.168  -0.028  0.00  0.00    +0.032 C 
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3