REMARK  Name = BDB014080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.019  -0.926   0.532  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.635  -2.108  -0.066  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        2.078  -2.265   0.458  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.905  -1.065   0.221  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        2.235   0.109   0.825  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.789   0.298   0.319  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.116   2.582  -1.153  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -3.938   1.557  -0.513  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.336   0.386  -0.018  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -1.964   0.295   0.043  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.395  -0.793   0.455  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -2.137  -1.862   0.861  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.687  -2.663   1.267  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -3.494  -1.852   0.896  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -4.138  -2.806   1.321  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.131  -0.627   0.388  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.629  -0.581   0.366  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.163   0.836   0.177  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.355   1.571  -0.883  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        4.261  -1.263   0.789  0.00  0.00    +0.160 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.272  -0.178   0.438  0.00  0.00    +0.144 A 
ATOM     22  N   LIG    1        5.918  -0.273  -0.737  0.00  0.00    -0.219 NA
ATOM     23  C   LIG    1        6.774   0.723  -1.010  0.00  0.00    +0.133 A 
ATOM     24 CL   LIG    1        7.580   0.572  -2.518  0.00  0.00    -0.062 Cl
ATOM     25  C   LIG    1        7.028   1.792  -0.188  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1        6.324   1.791   0.988  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        5.447   0.827   1.325  0.00  0.00    -0.239 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3