REMARK  Name = BDB046587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.933  -1.023   0.991  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -2.850  -2.062   0.054  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.623  -2.402  -0.522  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.460  -1.707  -0.171  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.532  -0.686   0.783  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.761  -0.349   1.358  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.824  -2.108  -0.811  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        1.803  -1.142  -0.879  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.554  -0.174  -0.727  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.959  -3.235  -1.272  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.033  -1.400  -1.590  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.018  -0.285  -1.364  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.798  -0.253  -0.200  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        5.694   0.796   0.032  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.817   1.831  -0.895  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.033   1.807  -2.051  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.138   0.761  -2.286  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  O   LIG    1        6.649   2.912  -0.790  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1        7.492   2.965   0.353  0.00  0.00    +0.277 C 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -4.257  -0.655   1.623  0.00  0.00    +0.049 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.295  -0.113   0.629  0.00  0.00    +0.102 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.459   2.343   0.873  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -4.930   1.224  -0.048  0.00  0.00    +0.011 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -6.639  -0.030   1.336  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1       -7.078   0.958   1.901  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -7.325  -1.197   1.311  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -6.883  -1.925   0.836  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9