REMARK  Name = BDB052960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.334   1.501  -0.865  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1        0.281   1.861  -1.693  0.00  0.00    -0.340 N 
ATOM      3  C   LIG    1       -0.044   3.183  -1.490  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1        0.761   3.678  -0.496  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        1.613   2.626  -0.094  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.953   0.181  -0.814  0.00  0.00    +0.209 C 
ATOM      7  O   LIG    1        1.433  -0.836  -1.270  0.00  0.00    -0.285 OA
BRANCH   6  11
ATOM      8  C   LIG    1        5.806  -0.373   0.998  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        4.758  -1.264   1.250  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.506  -1.078   0.659  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.290   0.017  -0.182  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.341   0.901  -0.454  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.594   0.708   0.141  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.076   0.198   1.416  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        6.975  -0.673   1.641  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1       -0.398   1.015  -2.674  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.631   0.382  -2.097  0.00  0.00    -0.005 C 
ATOM     18  C   LIG    1       -1.807  -0.944  -1.979  0.00  0.00    +0.005 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.016  -1.558  -1.415  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -3.623  -1.061  -0.249  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -4.757  -1.681   0.280  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.279  -2.810  -0.355  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.675  -3.323  -1.501  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.542  -2.701  -2.026  0.00  0.00    +0.008 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -5.438  -1.294   1.401  0.00  0.00    -0.481 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.959  -0.142   2.084  0.00  0.00    +0.349 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.821   0.179   3.289  0.00  0.00    +0.343 C 
ATOM     28  O   LIG    1       -5.423   0.663   4.340  0.00  0.00    -0.247 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -7.138  -0.048   3.109  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1       -7.548   0.209   3.960  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 10