REMARK  Name = BDB008575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.563  -1.410   1.546  0.00  0.00    +0.122 C 
ATOM      2  C   LIG    1        0.256  -1.082   3.011  0.00  0.00    +0.035 C 
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        2.104   0.547  -1.322  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        2.156   1.839  -0.756  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.683   1.990   0.562  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.719   3.250   1.145  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        2.209   4.366   0.462  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.677   4.226  -0.837  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        1.194   0.968   1.279  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        1.139  -0.265   0.722  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        2.652   2.971  -1.442  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        1.597  -0.510  -0.571  0.00  0.00    +0.071 A 
BRANCH   3  14
ATOM     13  C   LIG    1        2.421  -0.835  -3.249  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        2.574   0.425  -2.607  0.00  0.00    -0.494 OA
ENDBRANCH   3  14
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  N   LIG    1       -0.545  -2.161   0.884  0.00  0.00    -0.288 N 
ATOM     16  C   LIG    1       -1.794  -1.643   0.503  0.00  0.00    +0.246 C 
ATOM     17  O   LIG    1       -2.740  -2.406   0.258  0.00  0.00    -0.273 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.975  -0.123   0.321  0.00  0.00    +0.217 C 
ATOM     19  O   LIG    1       -2.008   0.542   1.585  0.00  0.00    -0.365 OA
ATOM     20  C   LIG    1       -2.646   1.823   1.554  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1       -2.719   2.447   0.154  0.00  0.00    +0.109 C 
ATOM     22  N   LIG    1       -3.434   1.600  -0.816  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -4.430   1.818  -0.799  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -3.271   0.166  -0.475  0.00  0.00    +0.122 C 
ENDBRANCH  16  18
BRANCH  15  25
ATOM     25  C   LIG    1       -0.453  -3.610   1.002  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1        0.731  -4.396   0.492  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -0.582  -4.492  -0.217  0.00  0.00    +0.024 C 
ENDBRANCH  15  25
ENDBRANCH   1  15
TORSDOF 5