REMARK  Name = BDB046403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.376   0.785   0.051  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.371   0.030  -0.566  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.021   0.149  -0.180  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.329   1.046   0.850  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -0.682   1.800   1.463  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.018   1.670   1.069  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.948  -0.730  -0.914  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.285  -0.456  -0.777  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.566   0.235  -0.089  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.534  -1.653  -1.610  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.296  -1.303  -1.357  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.668  -0.725  -1.133  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.175   0.252  -2.001  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        6.434   0.811  -1.779  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.195   0.405  -0.684  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.695  -0.558   0.192  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.436  -1.117  -0.028  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  O   LIG    1        1.650   1.122   1.211  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1        2.014   2.043   2.234  0.00  0.00    +0.277 C 
ENDBRANCH   4  18
BRANCH   1  20
ATOM     20  C   LIG    1       -3.822   0.621  -0.358  0.00  0.00    +0.049 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.454  -0.661   0.200  0.00  0.00    +0.102 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -6.761   0.076  -0.746  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -5.765  -1.054  -0.514  0.00  0.00    +0.011 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -4.675  -0.526   1.700  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1       -5.670  -0.048   2.220  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.633  -0.973   2.440  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -2.866  -1.273   1.913  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9