REMARK  Name = BDB027551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.827   1.230   1.705  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.659   0.850   1.076  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.628   1.306   1.572  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.666   0.610   0.679  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.914   0.535  -0.654  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.516   0.226  -0.231  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.850   1.945   2.703  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.587  -0.078   0.116  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -5.319   1.282   0.296  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -4.089   1.702   0.816  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -3.112   0.761   1.143  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.374  -0.602   0.990  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.606  -1.016   0.473  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.896   0.142  -0.841  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1       -6.799  -0.582  -0.398  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1       -6.872  -1.590  -0.454  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -7.998   1.361  -0.879  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1      -10.236  -0.021  -1.789  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -9.014  -0.781  -1.303  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        2.891   1.386   0.571  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        3.169   1.892   1.406  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.019   0.669   0.198  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        5.166   1.088   0.747  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        6.296   0.444   0.419  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        6.309  -0.639  -0.459  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        7.511  -1.301  -0.789  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        8.723  -0.871  -0.243  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        8.711   0.204   0.648  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       10.002  -1.587  -0.560  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        5.070  -0.996  -0.959  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        7.508   0.848   0.964  0.00  0.00    +0.029 A 
ATOM     32  N   LIG    1        3.922  -0.366  -0.645  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5