REMARK  Name = BDB047651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.319  -1.478  -0.487  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.723  -0.547  -0.635  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.988  -0.819  -0.076  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -2.168  -2.023   0.605  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -3.471  -2.050   1.047  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -3.885  -2.808   1.569  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.137  -0.906   0.683  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -5.458  -0.502   0.915  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -6.587  -1.207   1.614  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -7.555  -0.042   1.865  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -7.331   0.972   0.733  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.891   0.733   0.414  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.019   1.513  -0.302  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -5.226   2.817  -0.945  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -6.256   3.460  -0.960  0.00  0.00    -0.270 OA
ATOM     16  N   LIG    1       -4.029   3.166  -1.528  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -3.931   4.026  -2.050  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -2.998   2.175  -1.344  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -3.692   1.120  -0.535  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1       -1.151  -2.974   0.750  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -3.231  -0.112  -0.034  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        0.097  -2.683   0.187  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  24
ATOM     23  O   LIG    1        1.699  -0.386  -2.053  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        1.638  -1.143  -1.091  0.00  0.00    +0.244 C 
ATOM     25  N   LIG    1        2.748  -1.691  -0.483  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        2.650  -2.131   0.421  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.094  -1.382  -0.940  0.00  0.00    +0.120 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.569   0.011  -0.478  0.00  0.00    +0.103 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.965   0.315  -0.841  0.00  0.00    -0.297 NA
ATOM     30  C   LIG    1        6.927  -0.589  -0.172  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        8.313   0.054  -0.012  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        8.284   1.208   0.840  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        7.048   1.932   0.764  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1        6.303   1.730  -0.565  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  24
TORSDOF 4