REMARK  Name = BDB009088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.931  -1.773  -0.473  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.015  -1.656   0.555  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.117  -2.523   0.636  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.241  -3.545  -0.312  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.302  -3.671  -1.335  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.777  -2.786  -1.418  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.032  -0.732  -1.373  0.00  0.00    +0.252 C 
ATOM      8  N   LIG    1        1.988  -0.843  -0.477  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.985  -0.155   0.272  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.216  -1.457  -2.347  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        6.991   3.480  -0.593  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.942   2.424  -0.787  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1        4.875   2.307   0.111  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        3.916   1.299  -0.053  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        4.010   0.381  -1.112  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1        5.094   0.501  -1.998  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        6.051   1.506  -1.836  0.00  0.00    +0.004 A 
BRANCH  14  18
ATOM     18  O   LIG    1        2.883   1.230   0.849  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        2.975   1.960   1.487  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.129  -2.390   1.750  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.640  -0.966   1.948  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.562  -0.359   0.937  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.041  -1.150  -0.249  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.228  -0.501  -0.969  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.011   0.997  -1.141  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.830   1.684   0.213  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.937   0.915   1.149  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.466   1.639   2.356  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.797   2.797   2.588  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.646   0.934   3.195  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.320   1.409   4.029  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.219  -0.342   3.010  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5