REMARK  Name = BDB004663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.266  -0.589  -0.968  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.261   0.011  -0.179  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        2.069  -0.713   0.021  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.069  -0.087   0.798  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.258   1.113   1.365  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.420   1.714   1.125  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.922  -2.008  -0.539  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.925  -2.583  -1.308  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.419   1.233   0.377  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.093  -1.871  -1.526  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.802   1.323  -0.785  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        6.692   1.765  -0.962  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.111   1.788  -0.202  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.576   0.070  -1.270  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.438  -0.490  -1.940  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.149  -0.763   1.026  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.521  -1.063   0.128  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.179  -0.052   1.783  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.129   0.678   0.851  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -3.164   0.010   0.133  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -3.991   0.772  -0.733  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -5.021   0.146  -1.455  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -5.249  -1.224  -1.341  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.449  -1.986  -0.502  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.780   2.151  -0.871  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.762   2.793  -0.173  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.422  -1.379   0.224  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -1.942   2.062   0.678  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4