REMARK  Name = BDB006052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.277  -1.123   1.713  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -6.172  -1.060   1.187  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.676   0.198   0.612  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.420   0.194   0.033  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.851   1.344  -0.535  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.562   1.356  -1.124  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.907   0.226  -1.120  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.425  -0.936  -0.593  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -1.813  -1.746  -0.582  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.601   2.521  -0.506  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.878   2.541   0.074  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.644  -1.051   0.010  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -4.082  -2.161   0.526  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -6.418   1.379   0.636  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.324  -2.145   1.101  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.651  -3.023   1.493  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.517   0.166  -1.753  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.346  -0.761  -0.987  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1        0.685  -0.177   0.341  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        2.047  -0.629   0.920  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1        3.140  -0.248   0.014  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        2.817  -0.196  -1.420  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        1.583  -1.072  -1.743  0.00  0.00    +0.104 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.440  -0.080   0.465  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        5.401   0.609  -0.294  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        6.716   0.787   0.154  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.107   0.278   1.385  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.182  -0.406   2.163  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.869  -0.578   1.706  0.00  0.00    +0.023 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3