REMARK  Name = BDB014094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.670  -0.328   0.019  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        2.810   0.124   0.944  0.00  0.00    -0.164 NA
ATOM      3  C   LIG    1        1.584  -0.141   0.449  0.00  0.00    +0.168 A 
ATOM      4  C   LIG    1        0.406   0.329   1.184  0.00  0.00    +0.266 C 
ATOM      5  N   LIG    1       -0.410   1.263   0.588  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -1.217   1.475   1.164  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -0.120   2.131  -0.539  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -1.356   2.353  -1.402  0.00  0.00    +0.060 C 
ATOM      9  C   LIG    1       -2.371   3.297  -0.752  0.00  0.00    +0.232 C 
ATOM     10  O   LIG    1       -3.688   3.041  -1.275  0.00  0.00    -0.475 OA
ATOM     11  C   LIG    1       -4.327   1.964  -0.752  0.00  0.00    +0.233 A 
ATOM     12  N   LIG    1       -3.919   1.337   0.298  0.00  0.00    -0.130 NA
ATOM     13  N   LIG    1       -4.614   0.187   0.639  0.00  0.00    -0.220 N 
ATOM     14  C   LIG    1       -4.022  -0.641   1.686  0.00  0.00    +0.202 C 
ATOM     15  C   LIG    1       -2.863  -1.506   1.214  0.00  0.00    +0.064 A 
ATOM     16  N   LIG    1       -2.283  -1.239   0.015  0.00  0.00    -0.245 NA
ATOM     17  C   LIG    1       -1.169  -1.935  -0.313  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1       -0.560  -1.609  -1.628  0.00  0.00    +0.267 C 
ATOM     19  N   LIG    1        0.781  -1.311  -1.735  0.00  0.00    -0.277 N 
ATOM     20  H   LIG    1        1.123  -1.421  -2.683  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -1.226  -1.724  -2.658  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -0.622  -2.939   0.475  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -1.241  -3.223   1.687  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.366  -2.494   2.067  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -5.692  -0.305  -0.086  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -6.298  -1.343   0.168  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -6.142   0.523  -1.230  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1       -5.491   1.637  -1.571  0.00  0.00    +0.074 A 
ATOM     29  O   LIG    1        0.124  -0.076   2.312  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        1.683  -0.813  -0.811  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.036  -0.857  -1.070  0.00  0.00    +0.133 A 
ENDROOT
BRANCH   1  33
ATOM     32  C   LIG    1        5.475   0.412   1.594  0.00  0.00    +0.036 C 
ATOM     33  C   LIG    1        5.127  -0.206   0.220  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        5.722   0.700  -0.875  0.00  0.00    +0.036 C 
ATOM     35  C   LIG    1        5.778  -1.601   0.150  0.00  0.00    +0.036 C 
ENDBRANCH   1  33
TORSDOF 1