REMARK  Name = BDB046391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.865   1.163  -0.314  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.934   0.134  -0.480  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.099  -0.245   0.582  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.191   0.376   1.835  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.107   1.420   1.990  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.932   1.811   0.926  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.817  -1.374   0.330  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.166  -1.151   0.265  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.719  -1.989   0.134  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.343  -2.485   0.107  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.865   0.095   0.495  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.257   0.039  -0.076  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.471   0.268  -1.443  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        5.757   0.195  -1.980  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.839  -0.114  -1.159  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.637  -0.355   0.199  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.351  -0.283   0.738  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  O   LIG    1        0.628  -0.091   2.826  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1        0.415   0.401   4.143  0.00  0.00    +0.277 C 
ENDBRANCH   4  18
BRANCH   1  20
ATOM     20  C   LIG    1       -2.791   1.558  -1.439  0.00  0.00    +0.049 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.103   0.757  -1.537  0.00  0.00    +0.102 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.216  -1.447  -2.158  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -3.907  -0.740  -1.827  0.00  0.00    +0.011 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -5.001   1.057  -0.349  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1       -5.859   1.929  -0.373  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -4.765   0.332   0.763  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -3.996  -0.267   0.710  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9