REMARK  Name = BDB022986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.600   3.701   0.352  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.167   3.175   0.215  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.143   1.690   0.288  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.500   0.991  -0.859  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.874   1.608  -1.865  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.575   1.121   1.515  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        0.799   1.696   1.759  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.947   3.060   1.601  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.208   3.544   1.835  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.249   2.754   2.159  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.013   1.435   2.266  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        1.810   0.873   2.096  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.248   3.885   1.250  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -1.419  -0.536  -0.950  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -2.315  -1.284   0.064  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -1.667  -2.629   0.492  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -1.009  -3.307  -0.630  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -0.608  -4.668  -0.285  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        0.112  -2.545  -1.194  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        0.030  -1.033  -0.963  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.746  -1.405  -0.460  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.155  -2.455  -1.295  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.468  -2.523  -1.766  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.388  -1.538  -1.419  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.996  -0.479  -0.605  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.685  -0.411  -0.131  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.048   0.555   2.562  0.00  0.00    -0.308 N 
ATOM     28  H   LIG    1        3.675  -0.360   2.321  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.250   0.833   1.777  0.00  0.00    +0.161 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.148   0.616   0.288  0.00  0.00    +0.080 A 
ATOM     31  N   LIG    1        4.973  -0.617  -0.218  0.00  0.00    -0.175 NA
ATOM     32  N   LIG    1        4.886  -0.412  -1.545  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1        4.700  -1.538  -2.429  0.00  0.00    +0.172 C 
ATOM     34  C   LIG    1        4.987   0.900  -1.901  0.00  0.00    +0.108 A 
ATOM     35  C   LIG    1        5.167   1.598  -0.731  0.00  0.00    +0.046 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5