REMARK  Name = BDB044587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.013  -0.816  -0.153  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.344  -2.159  -0.359  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.713  -2.425  -0.328  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.079  -3.746  -0.540  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.234  -4.787  -0.764  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.078  -4.497  -0.771  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.637  -1.480  -0.105  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.197  -0.229   0.105  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.568  -3.219  -0.576  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.905   0.133   0.090  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.201   0.820   0.363  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.573   0.530   0.412  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        5.479   1.551   0.658  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.124   2.835   0.858  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.805   3.110   0.810  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.828   2.157   0.571  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.381  -0.456  -0.185  0.00  0.00    -0.327 N 
ATOM     18  H   LIG    1       -1.754  -0.745  -1.086  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.651   0.968   0.063  0.00  0.00    +0.124 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.913   0.934  -1.128  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -3.180   1.261   0.182  0.00  0.00    +0.026 C 
ATOM     22  C   LIG    1       -3.802   0.467   1.342  0.00  0.00    +0.029 C 
BRANCH  21  23
ATOM     23  N   LIG    1       -3.382   2.701   0.447  0.00  0.00    -0.324 NA
ATOM     24  H   LIG    1       -2.965   2.945   1.346  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -4.379   2.896   0.543  0.00  0.00    +0.119 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5