REMARK  Name = BDB052424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.925  -1.453   0.341  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -2.711  -1.985  -0.140  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -2.366  -3.324  -0.697  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -0.899  -3.702  -0.400  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        0.064  -2.542  -0.383  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.339  -1.241  -0.124  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.515  -0.228   0.064  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        1.825  -0.488  -0.063  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        2.307  -1.706  -0.348  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        1.423  -2.711  -0.484  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -1.766  -0.986   0.025  0.00  0.00    +0.097 A 
ATOM     12  N   LIG    1       -2.471   0.143   0.409  0.00  0.00    -0.230 N 
ATOM     13  N   LIG    1       -3.747  -0.192   0.778  0.00  0.00    -0.161 NA
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1       -2.119   1.525   0.398  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1       -2.795   2.408   1.255  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.492   3.772   1.246  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -1.531   4.267   0.367  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -0.882   3.403  -0.512  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -1.180   2.037  -0.505  0.00  0.00    +0.028 A 
ENDBRANCH  12  14
BRANCH   1  23
ATOM     20  N   LIG    1       -6.222  -1.335   0.962  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -5.992  -0.389   1.245  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -7.160  -1.692   1.038  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -5.237  -2.112   0.419  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1       -5.458  -3.256   0.035  0.00  0.00    -0.269 OA
ENDBRANCH   1  23
BRANCH   8  25
ATOM     25  N   LIG    1        2.651   0.615   0.129  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1        2.079   1.408   0.381  0.00  0.00    +0.155 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.035   0.814   0.107  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        4.532   2.096   0.397  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        5.903   2.368   0.387  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.808   1.357   0.082  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.338   0.080  -0.211  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.964  -0.185  -0.199  0.00  0.00    +0.023 A 
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 4