REMARK  Name = BDB048331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.536  -4.103   0.885  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.115  -3.601   0.862  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.851  -2.461   0.113  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.433  -2.058   0.044  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.300  -0.668  -0.467  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.167   0.183  -0.574  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.515   1.353  -1.122  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.845   1.278  -1.317  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.352   0.063  -0.975  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.752  -0.413  -1.056  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.757  -1.952  -0.943  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.241  -4.190   1.498  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.065  -0.210  -0.165  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.139  -1.121   0.269  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.316   0.451  -0.176  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.436  -0.221   0.352  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.713   0.366   0.375  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.868   1.656  -0.141  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.774   2.337  -0.672  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.512   1.736  -0.689  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.856  -0.339   0.930  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        6.030  -1.707   0.929  0.00  0.00    +0.113 A 
ATOM     23  N   LIG    1        7.234  -1.944   1.527  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        7.686  -2.836   1.696  0.00  0.00    +0.188 HD
ATOM     25  N   LIG    1        7.867  -0.827   1.918  0.00  0.00    -0.182 NA
ATOM     26  C   LIG    1        7.029   0.149   1.553  0.00  0.00    +0.142 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.550   2.414  -1.898  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.157   3.386  -0.923  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.331   4.019   0.170  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.449   3.077   0.527  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5