REMARK  Name = BDB014058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.687   0.880   0.262  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1        1.572   1.717  -0.242  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        0.181   1.341   0.310  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1       -0.158  -0.045  -0.060  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1        0.971  -0.986  -0.057  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        2.182  -0.432   0.723  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.483  -0.426  -0.142  0.00  0.00    +0.200 A 
ATOM      8  N   LIG    1       -1.760  -1.669  -0.629  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1       -1.027  -2.261  -0.977  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1       -3.024  -2.133  -0.802  0.00  0.00    +0.258 A 
ATOM     11  O   LIG    1       -3.248  -3.225  -1.316  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -4.097  -1.238  -0.343  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -5.507  -1.735  -0.445  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -6.479  -0.890   0.373  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -6.172   0.591   0.201  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1       -4.775   0.845   0.561  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1       -4.458   2.232   0.895  0.00  0.00    +0.130 C 
ATOM     18  C   LIG    1       -3.753  -0.025   0.138  0.00  0.00    +0.133 A 
ATOM     19  N   LIG    1       -2.439   0.374   0.217  0.00  0.00    -0.200 NA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1        4.334   2.142  -1.161  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        3.793   0.765  -0.737  0.00  0.00    +0.122 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.996  -0.070  -0.264  0.00  0.00    +0.146 A 
ATOM     23  N   LIG    1        5.233  -1.231  -0.917  0.00  0.00    -0.239 NA
ATOM     24  C   LIG    1        6.278  -1.961  -0.484  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        7.082  -1.591   0.567  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        6.757  -0.400   1.170  0.00  0.00    +0.114 A 
ATOM     27  N   LIG    1        5.729   0.374   0.780  0.00  0.00    -0.239 NA
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 3