REMARK  Name = BDB045238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.577  -0.434  -0.522  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.826  -0.464   0.604  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1        0.512  -0.357   0.452  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.127  -0.204  -0.783  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1        2.480  -0.131  -0.555  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1        3.172  -0.019  -1.278  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        2.738  -0.228   0.786  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1        0.379  -0.148  -1.950  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        1.527  -0.370   1.435  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -1.006  -0.262  -1.787  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.138  -0.189   1.473  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1        5.419  -0.048   0.863  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        6.314  -0.076   1.930  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        7.700   0.034   1.778  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        8.191   0.178   0.478  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.327   0.210  -0.614  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        5.541  -0.226   3.048  0.00  0.00    -0.276 N 
ATOM     18  H   LIG    1        5.853  -0.286   4.010  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1        5.941   0.099  -0.439  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1        4.226  -0.296   2.804  0.00  0.00    -0.171 NA
ENDBRANCH   7  11
BRANCH   1  22
ATOM     21  C   LIG    1       -3.429  -0.635   1.067  0.00  0.00    +0.140 C 
ATOM     22  N   LIG    1       -3.000  -0.532  -0.332  0.00  0.00    -0.255 N 
ATOM     23  C   LIG    1       -3.910  -0.642  -1.388  0.00  0.00    +0.252 C 
ATOM     24  O   LIG    1       -3.652  -0.985  -2.540  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.333  -0.312  -1.121  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -6.325  -1.216  -1.515  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -7.668  -0.910  -1.293  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.018   0.301  -0.693  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.029   1.214  -0.322  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.684   0.914  -0.542  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 3