REMARK  Name = BDB015169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.608   0.886   0.348  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        1.448   0.541  -0.371  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.438   1.477  -0.624  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        0.542   2.771  -0.133  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.685   3.146   0.562  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.710   2.217   0.786  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.479  -1.427   0.018  0.00  0.00    +0.138 C 
ATOM      8  N   LIG    1        3.663  -0.081   0.574  0.00  0.00    -0.270 N 
ATOM      9  C   LIG    1        4.755   0.187   1.422  0.00  0.00    +0.252 C 
ATOM     10  O   LIG    1        4.784   1.011   2.334  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1        6.004  -0.576   1.217  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        6.575  -0.686  -0.044  0.00  0.00    +0.123 A 
ATOM     13  N   LIG    1        7.724  -1.359  -0.291  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        8.343  -1.913   0.777  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        7.866  -1.828   2.077  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.676  -1.140   2.301  0.00  0.00    +0.016 A 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  O   LIG    1       -0.717   1.158  -1.279  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.534   0.566  -2.571  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.201  -0.816  -2.697  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.547  -1.782  -1.860  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.139  -2.549  -1.778  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.746  -0.831  -2.525  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.335  -0.218  -1.325  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.808  -0.208  -1.425  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.512   0.299  -0.185  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -4.851   0.343   1.054  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -5.532   0.793   2.193  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.871   1.171   2.109  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.537   1.109   0.887  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.393  -0.028   1.137  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.863   0.673  -0.254  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -2.924  -0.856  -0.068  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8