REMARK  Name = BDB054887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.929  -0.387   0.330  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.140   0.558  -0.324  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.252   0.400  -0.408  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.877  -0.705   0.166  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.089  -1.649   0.833  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.300  -1.491   0.915  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        4.472   0.453   0.322  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        4.561  -0.056   1.188  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.179   0.611  -0.159  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        2.329  -0.294   0.463  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.781  -1.063   0.934  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        2.838   1.426  -1.004  0.00  0.00    -0.252 OA
BRANCH   7  16
ATOM     13  C   LIG    1        6.967   3.263  -2.969  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        6.914   2.465  -1.699  0.00  0.00    -0.049 A 
ATOM     15  C   LIG    1        5.710   1.861  -1.300  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.644   1.093  -0.135  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        6.808   0.913   0.623  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        8.012   1.499   0.228  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        8.066   2.270  -0.932  0.00  0.00    +0.003 A 
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  N   LIG    1       -3.266  -0.939   0.133  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1       -3.582  -1.784   0.598  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -4.242  -0.177  -0.477  0.00  0.00    +0.250 C 
ATOM     23  O   LIG    1       -4.050   0.836  -1.137  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -5.602  -0.700  -0.318  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -6.173  -1.399   0.743  0.00  0.00    +0.117 A 
ATOM     26  N   LIG    1       -7.459  -1.718   0.406  0.00  0.00    -0.234 N 
ATOM     27  N   LIG    1       -8.293  -2.445   1.164  0.00  0.00    -0.155 NA
ATOM     28  C   LIG    1       -7.786  -2.820   2.295  0.00  0.00    +0.245 A 
ATOM     29  N   LIG    1       -6.532  -2.526   2.772  0.00  0.00    -0.217 NA
ATOM     30  C   LIG    1       -7.764  -1.188  -0.814  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1       -5.730  -1.821   2.034  0.00  0.00    +0.144 A 
ATOM     32  C   LIG    1       -6.647  -0.536  -1.282  0.00  0.00    +0.035 A 
BRANCH  31  33
ATOM     33  N   LIG    1       -4.505  -1.527   2.564  0.00  0.00    -0.341 N 
ATOM     34  H   LIG    1       -4.492  -1.711   3.564  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -4.170  -0.586   2.365  0.00  0.00    +0.144 HD
ENDBRANCH  31  33
ENDBRANCH  22  24
ENDBRANCH   4  20
TORSDOF 5