REMARK  Name = BDB030320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.338  -0.702  -2.055  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1       -1.155  -0.167  -2.340  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.728  -0.553  -2.887  0.00  0.00    +0.252 C 
ATOM      4  O   LIG    1        0.565  -0.038  -3.996  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.088  -0.971  -2.479  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1        2.681  -0.563  -1.259  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1        3.974  -0.998  -1.028  0.00  0.00    -0.219 N 
ATOM      8  C   LIG    1        4.348  -0.523   0.198  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        3.277   0.211   0.659  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        4.761  -1.749  -1.849  0.00  0.00    -0.173 NA
ATOM     11  C   LIG    1        4.178  -2.055  -2.965  0.00  0.00    +0.134 A 
ATOM     12  N   LIG    1        2.250   0.185  -0.261  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        2.805  -1.680  -3.364  0.00  0.00    +0.038 A 
BRANCH   9  14
ATOM     14  C   LIG    1        3.192   0.929   1.925  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.007   1.604   2.252  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        1.894   2.315   3.452  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.963   2.350   4.343  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.143   1.676   4.037  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.258   0.970   2.835  0.00  0.00    +0.010 A 
ENDBRANCH   9  14
ENDBRANCH   3   5
BRANCH   1  21
ATOM     20  C   LIG    1       -1.772  -1.226  -0.197  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1       -0.587  -1.507  -0.922  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1        0.176  -2.600  -0.530  0.00  0.00    +0.135 A 
ATOM     23  N   LIG    1       -0.132  -3.412   0.511  0.00  0.00    -0.261 NA
ATOM     24  C   LIG    1       -1.255  -3.114   1.193  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -2.095  -2.056   0.881  0.00  0.00    +0.044 A 
BRANCH  20  31
ATOM     26  C   LIG    1       -6.150   1.176  -0.614  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1       -4.627   1.221  -0.635  0.00  0.00    +0.132 C 
ATOM     28  O   LIG    1       -4.202   2.160   0.374  0.00  0.00    -0.374 OA
ATOM     29  C   LIG    1       -2.878   1.903   0.875  0.00  0.00    +0.179 C 
ATOM     30  C   LIG    1       -1.959   1.189  -0.129  0.00  0.00    +0.133 C 
ATOM     31  N   LIG    1       -2.551  -0.107  -0.565  0.00  0.00    -0.324 N 
ATOM     32  C   LIG    1       -4.022  -0.182  -0.410  0.00  0.00    +0.136 C 
ENDBRANCH  20  31
ENDBRANCH   1  21
TORSDOF 4