REMARK  Name = BDB045916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.191   0.394   0.899  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.107   0.543   0.025  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.011  -0.312   0.088  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.048  -1.330   1.062  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.045  -1.482   1.927  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.150  -0.629   1.848  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.102  -0.042  -0.906  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.049  -1.022  -1.087  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.038  -1.805  -0.443  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.120   1.017  -1.528  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.229  -0.823  -1.892  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.418  -0.496  -1.025  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.333  -1.491  -0.656  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        6.419  -1.183   0.168  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.603   0.122   0.649  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        5.686   1.116   0.279  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.601   0.807  -0.544  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        7.787   0.455   1.522  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        8.153  -0.574   2.338  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.569   1.518   2.346  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        8.896   0.766   0.796  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  O   LIG    1        1.155  -2.141   1.107  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        1.347  -2.924   2.281  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1       -3.387   1.311   0.800  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.325   0.957  -0.368  0.00  0.00    +0.102 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.985  -0.385  -0.145  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1       -4.992  -1.318  -0.931  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -5.645  -0.484   1.025  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1       -6.037  -1.382   0.991  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  C   LIG    1       -5.388   2.056  -0.556  0.00  0.00    +0.015 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -5.637   1.830  -3.090  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -6.338   1.846  -1.741  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 11