REMARK  Name = BDB012818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.095   0.171   2.196  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.419   0.045   2.035  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.638  -1.384   1.835  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.678  -2.021   1.186  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.909  -3.213   1.380  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.544  -2.156   2.391  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.433  -1.124   2.950  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -2.877   0.817  -0.307  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -2.160   0.726   0.889  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -0.838   0.286   0.874  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -0.202  -0.063  -0.276  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -0.909   0.002  -1.432  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -0.207  -0.396  -2.698  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -2.225   0.448  -1.487  0.00  0.00    +0.031 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -5.313   0.622   0.360  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1       -4.274   1.293  -0.327  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.591   2.457  -1.054  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -5.895   2.948  -1.101  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -6.907   2.283  -0.419  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -6.619   1.127   0.309  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -5.996  -1.297   1.611  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.955  -0.512   1.048  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   8  16
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1        3.441  -1.249   0.242  0.00  0.00    +0.121 A 
ATOM     24  N   LIG    1        2.899  -0.378  -0.664  0.00  0.00    -0.272 N 
ATOM     25  H   LIG    1        1.913  -0.140  -0.765  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1        3.801   0.204  -1.473  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1        4.961  -0.368  -1.124  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        4.783  -1.295  -0.070  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1        6.243  -0.019  -1.825  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1        6.198  -0.389  -3.309  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1        6.603   1.458  -1.649  0.00  0.00    +0.014 C 
ENDBRANCH  27  29
ENDBRANCH   4  23
TORSDOF 5