REMARK  Name = BDB013116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.768   0.589   0.014  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.255   0.042   0.837  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.502   0.613   0.756  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.269  -0.054   1.664  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.555  -0.992   2.246  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.795   1.686  -0.088  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.849   2.216  -0.817  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.282  -0.935   1.720  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.410   1.651  -0.744  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.777  -0.801   0.040  0.00  0.00    +0.125 A 
ATOM     11  N   LIG    1        4.123  -0.665   1.217  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1        2.839  -0.232   1.161  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.169   0.109  -0.015  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.877  -0.058  -1.213  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.195  -0.516  -1.191  0.00  0.00    +0.033 A 
BRANCH  10  18
ATOM     16  N   LIG    1        7.089  -0.652  -0.739  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        6.806   0.211  -1.183  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        6.194  -1.286   0.114  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1        6.525  -2.175   0.889  0.00  0.00    -0.269 OA
BRANCH  16  21
ATOM     20  C   LIG    1        9.201  -0.185   0.427  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        8.505  -0.949  -0.686  0.00  0.00    +0.101 C 
ENDBRANCH  16  21
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -3.068   2.222  -0.127  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.940   3.216  -0.322  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.964   1.757  -1.194  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.567   0.421  -0.866  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -5.636   0.291   0.016  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.420   1.328   0.730  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.175   0.434   1.714  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.234  -0.907   1.179  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.178  -0.953   0.307  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.689  -2.115  -0.251  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -4.607  -2.014  -1.125  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -4.051  -0.760  -1.430  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6