REMARK  Name = BDB003612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.233   1.094  -0.382  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.097   0.036  -0.430  0.00  0.00    +0.165 A 
ATOM      3  C   LIG    1        3.705   0.021   0.815  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        4.659  -0.986   1.036  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1        4.901  -1.875   0.045  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1        4.231  -1.734  -1.120  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1        3.215   1.036   1.614  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1        3.307  -0.809  -1.452  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1        2.330   1.658   0.861  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1        5.351  -1.130   2.232  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1        5.687  -2.074   2.364  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1        4.892  -0.677   3.014  0.00  0.00    +0.144 HD
ENDBRANCH   4  10
BRANCH   1  13
ATOM     13  C   LIG    1        1.380   1.541  -1.464  0.00  0.00    +0.165 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.061   0.777  -1.510  0.00  0.00    +0.250 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -0.760   1.235  -0.432  0.00  0.00    -0.490 OA
BRANCH  15  20
ATOM     16  C   LIG    1       -5.917  -0.945   0.504  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.563  -0.369   0.212  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -4.008   0.600   1.053  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -2.733   1.109   0.795  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -1.989   0.652  -0.295  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -2.534  -0.325  -1.128  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.811  -0.836  -0.872  0.00  0.00    +0.007 A 
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5