REMARK  Name = BDB034528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.765  -0.741   0.175  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.993   0.069   0.990  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.196   0.397   2.141  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.814   0.455   0.208  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.770   1.293   0.547  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        0.757   1.488  -0.402  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        0.802   0.839  -1.649  0.00  0.00    +0.156 A 
ATOM      8  C   LIG    1        1.888   0.001  -1.948  0.00  0.00    +0.170 A 
ATOM      9  F   LIG    1        1.965  -0.626  -3.132  0.00  0.00    -0.201 F 
ATOM     10  C   LIG    1        2.886  -0.189  -1.018  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        4.103  -1.037  -1.091  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.226  -1.368   4.558  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.857  -1.357   3.385  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        6.124  -2.397   2.878  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.862  -3.107   3.547  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.597  -2.538   1.620  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.829  -3.466   1.363  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        5.960  -1.469   0.588  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        7.150  -0.606   0.997  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        7.164  -0.207   2.461  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   7  21
ATOM     21  O   LIG    1       -0.120   0.965  -2.650  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -1.438   1.477  -2.368  0.00  0.00    +0.191 C 
ATOM     23  C   LIG    1       -2.347   0.335  -1.794  0.00  0.00    +0.097 C 
ATOM     24  C   LIG    1       -3.744   0.342  -2.452  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -3.657   0.172  -3.971  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -2.482   0.911  -4.606  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -1.962   2.026  -3.709  0.00  0.00    +0.046 C 
BRANCH  23  28
ATOM     28  N   LIG    1       -2.289   0.353  -0.312  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1       -3.026  -0.754   0.318  0.00  0.00    +0.090 C 
ATOM     30  C   LIG    1       -4.129   0.232   0.746  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -3.156   1.350   0.331  0.00  0.00    +0.090 C 
BRANCH  30  32
ATOM     32  C   LIG    1       -4.353   0.206   2.268  0.00  0.00    -0.005 C 
ATOM     33  C   LIG    1       -5.338  -0.913   2.680  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -5.979   0.112   3.639  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1       -5.442   1.215   2.702  0.00  0.00    +0.004 C 
ENDBRANCH  30  32
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 5