REMARK  Name = BDB045382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.150  -2.193  -2.187  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        1.719  -1.402  -1.359  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1        2.599  -0.616  -0.486  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        2.016   0.259   0.425  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1        2.820   1.024   1.272  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        4.204   0.898   1.191  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        4.793   0.024   0.280  0.00  0.00    +0.046 A 
ATOM      8  O   LIG    1        0.659   0.417   0.542  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1       -0.187  -0.323  -0.280  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.989  -0.740  -0.565  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        0.270  -1.195  -1.194  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.638  -0.055  -0.050  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -2.659  -0.700  -0.777  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -4.000  -0.412  -0.521  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1       -4.352   0.513   0.453  0.00  0.00    +0.158 A 
ATOM     16  C   LIG    1       -3.377   1.165   1.185  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -2.030   0.880   0.933  0.00  0.00    +0.015 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -5.015  -1.021  -1.209  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -4.627  -1.638  -1.852  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1       -5.666   0.788   0.696  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1       -6.156   0.219   0.070  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   9  12
BRANCH   6  22
ATOM     22  O   LIG    1        5.032   1.623   1.996  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1        4.497   2.187   2.578  0.00  0.00    +0.292 HD
ENDBRANCH   6  22
TORSDOF 4