REMARK  Name = BDB047467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.533  -0.127   1.054  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        6.215  -0.061   1.512  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        5.163  -0.748   0.856  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        3.785  -0.589   1.454  0.00  0.00    +0.141 C 
ATOM      5  N   LIG    1        2.779  -1.547   1.013  0.00  0.00    -0.333 N 
ATOM      6  H   LIG    1        1.936  -1.527   1.583  0.00  0.00    +0.147 HD
ATOM      7  C   LIG    1        2.460  -1.391  -0.354  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1        3.381  -1.646  -1.359  0.00  0.00    +0.247 A 
ATOM      9  O   LIG    1        4.594  -2.221  -1.052  0.00  0.00    -0.436 OA
ATOM     10  N   LIG    1        3.131  -1.520  -2.675  0.00  0.00    -0.199 NA
ATOM     11  C   LIG    1        1.907  -1.088  -2.981  0.00  0.00    +0.227 A 
ATOM     12  N   LIG    1        0.934  -0.778  -2.112  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        1.220  -0.919  -0.804  0.00  0.00    +0.151 A 
ATOM     14  C   LIG    1        5.473  -1.480  -0.298  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1        6.798  -1.560  -0.745  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        7.818  -0.884  -0.078  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        8.387   1.261   2.789  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        8.615   0.492   1.615  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
BRANCH  13  19
ATOM     19  N   LIG    1        0.251  -0.561   0.177  0.00  0.00    -0.295 N 
ATOM     20  H   LIG    1        0.682   0.089   0.827  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.108  -0.272  -0.032  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -1.844   0.448   0.891  0.00  0.00    +0.139 A 
ATOM     23  N   LIG    1       -3.165   0.706   0.797  0.00  0.00    -0.221 NA
ATOM     24  C   LIG    1       -3.804   0.194  -0.256  0.00  0.00    +0.222 A 
ATOM     25  N   LIG    1       -3.215  -0.552  -1.202  0.00  0.00    -0.221 NA
ATOM     26  C   LIG    1       -1.885  -0.776  -1.057  0.00  0.00    +0.139 A 
BRANCH  24  27
ATOM     27  N   LIG    1       -5.158   0.400  -0.468  0.00  0.00    -0.250 N 
ATOM     28  H   LIG    1       -5.491  -0.069  -1.294  0.00  0.00    +0.158 HD
ATOM     29  C   LIG    1       -6.016   1.073   0.363  0.00  0.00    +0.250 C 
ATOM     30  O   LIG    1       -5.756   1.565   1.454  0.00  0.00    -0.270 OA
BRANCH  29  31
ATOM     31  C   LIG    1       -7.420   1.164  -0.134  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1       -7.719   1.280  -1.498  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1       -9.049   1.362  -1.916  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1      -10.081   1.336  -0.978  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -9.788   1.238   0.382  0.00  0.00    +0.001 A 
ATOM     36  C   LIG    1       -8.460   1.158   0.805  0.00  0.00    +0.013 A 
ENDBRANCH  29  31
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH  13  19
TORSDOF 5