REMARK  Name = BDB015068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.022  -1.268  -2.264  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.469  -0.850  -1.955  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -1.508   0.569  -1.745  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1       -0.988   0.748  -0.940  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1       -2.021  -1.600  -0.715  0.00  0.00    +0.119 C 
BRANCH   5   9
ATOM      6  C   LIG    1       -6.300   0.940  -0.296  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -5.562  -0.255  -0.157  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.088  -0.285  -0.532  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -3.497  -1.641  -0.615  0.00  0.00    -0.295 NA
ATOM     10  C   LIG    1       -3.902  -2.437   0.554  0.00  0.00    +0.089 C 
ATOM     11  C   LIG    1       -5.414  -2.677   0.537  0.00  0.00    +0.051 C 
ATOM     12  C   LIG    1       -6.189  -1.396   0.381  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1       -7.545  -1.355   0.726  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -8.270  -0.178   0.570  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.650   0.967   0.066  0.00  0.00    +0.046 A 
BRANCH   6  17
ATOM     16  C   LIG    1       -6.332   3.213  -1.024  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -5.604   2.017  -0.781  0.00  0.00    -0.495 OA
ENDBRANCH   6  17
ENDBRANCH   5   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        0.810  -1.107  -1.109  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.736  -0.102  -1.096  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.757  -0.264  -0.153  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.778   0.690  -0.000  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        3.741   1.828  -0.819  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        2.717   2.006  -1.750  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        1.714   1.044  -1.886  0.00  0.00    +0.045 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.851   0.500   0.991  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        6.202   0.522   0.587  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        7.186   0.334   1.568  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        6.883   0.133   2.911  0.00  0.00    +0.089 A 
ATOM     29  N   LIG    1        8.025  -0.022   3.658  0.00  0.00    -0.236 NA
ATOM     30  C   LIG    1        9.014   0.078   2.798  0.00  0.00    +0.200 A 
ATOM     31  C   LIG    1        5.542   0.112   3.315  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1        8.557   0.291   1.529  0.00  0.00    -0.333 N 
ATOM     33  C   LIG    1        9.379   0.443   0.355  0.00  0.00    +0.150 C 
ATOM     34  C   LIG    1        4.542   0.296   2.348  0.00  0.00    +0.011 A 
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8