REMARK  Name = BDB047378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.554  -1.206   2.053  0.00  0.00    +0.277 C 
ATOM      2  N   LIG    1        1.173  -1.110   1.940  0.00  0.00    -0.220 N 
ATOM      3  C   LIG    1        0.285  -0.418   1.140  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        0.719   0.586   0.123  0.00  0.00    +0.066 C 
ATOM      5  C   LIG    1       -0.998  -0.698   1.464  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1       -0.918  -1.621   2.634  0.00  0.00    +0.273 A 
ATOM      7  O   LIG    1       -1.847  -2.069   3.281  0.00  0.00    -0.266 OA
ATOM      8  N   LIG    1        0.417  -1.837   2.842  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1        0.844  -2.352   3.604  0.00  0.00    +0.191 HD
ATOM     10  O   LIG    1        3.108  -1.789   2.987  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.219  -0.222   0.920  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.643  -0.224  -0.436  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.919   0.355  -0.473  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -4.609   0.511  -1.692  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -4.006   0.067  -2.872  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.751  -0.525  -2.851  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -4.290   0.677   0.840  0.00  0.00    -0.287 N 
ATOM     18  C   LIG    1       -5.514   1.260   1.248  0.00  0.00    +0.229 C 
ATOM     19  O   LIG    1       -6.367   1.567   0.424  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -5.670   1.470   2.724  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -2.066  -0.679  -1.643  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.239   0.317   1.669  0.00  0.00    +0.103 A 
ENDBRANCH   5  11
BRANCH   1  26
ATOM     23  C   LIG    1        5.126   0.411  -0.938  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        4.341  -0.709  -1.224  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.491  -1.239  -0.247  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        3.418  -0.632   1.010  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        4.221   0.467   1.317  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        5.063   0.991   0.335  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        6.129   0.455  -3.094  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        5.990   1.027  -1.800  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH   1  26
TORSDOF 3