REMARK  Name = BDB028311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.751  -1.058  -0.797  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        2.208  -0.288   0.290  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.528  -0.395   0.751  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        4.407  -1.265   0.114  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        5.800  -1.349   0.579  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        6.138  -0.529   1.628  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        7.097  -0.571   1.960  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        5.301   0.317   2.286  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        6.605  -2.108   0.050  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        3.976  -2.043  -0.964  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        4.061   0.387   1.896  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        2.657  -1.940  -1.411  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.029  -0.900  -0.894  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1       -0.729  -1.028  -0.407  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        0.366  -0.940  -1.278  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        0.068  -0.734  -2.628  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1       -1.184  -0.629  -3.139  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1       -2.206  -0.724  -2.260  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1       -3.057  -1.028   0.006  0.00  0.00    -0.454 OA
BRANCH  19  23
ATOM     20  C   LIG    1       -6.385   1.460  -0.310  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1       -5.104   2.026  -0.326  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -3.975   1.210  -0.228  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -4.127  -0.176  -0.131  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -5.401  -0.743  -0.092  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -6.530   0.073  -0.190  0.00  0.00    +0.022 A 
BRANCH  20  27
ATOM     26  N   LIG    1       -8.481   2.979  -0.485  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1       -7.543   2.300  -0.408  0.00  0.00    +0.099 C 
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1        3.141   1.327   2.670  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        2.946   2.556   1.898  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        3.864   2.981   1.739  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        2.438   3.228   2.473  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6