REMARK  Name = BDB007040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.130  -0.683  -0.111  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.071   0.204  -0.495  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -2.333  -0.296  -0.206  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1       -3.545   0.385  -0.419  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -4.631  -0.399  -0.055  0.00  0.00    +0.070 A 
ATOM      6  N   LIG    1       -5.922  -0.022  -0.145  0.00  0.00    -0.257 NA
ATOM      7  C   LIG    1       -6.125   1.227  -0.628  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -5.105   2.098  -1.021  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -4.190  -1.744   0.477  0.00  0.00    +0.025 C 
ATOM     10  C   LIG    1       -4.745  -2.883  -0.381  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1       -4.606  -1.914   1.940  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -3.777   1.657  -0.906  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1       -2.650  -1.630   0.339  0.00  0.00    +0.126 C 
ATOM     14  O   LIG    1       -0.881   1.302  -1.025  0.00  0.00    -0.274 OA
BRANCH   8  15
ATOM     15  C   LIG    1       -5.435   3.463  -1.560  0.00  0.00    +0.273 C 
ATOM     16  F   LIG    1       -6.701   3.859  -1.230  0.00  0.00    -0.201 F 
ATOM     17  F   LIG    1       -4.617   4.429  -1.050  0.00  0.00    -0.201 F 
ATOM     18  C   LIG    1       -5.324   3.510  -3.076  0.00  0.00    +0.090 C 
ENDBRANCH   8  15
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.242  -0.734   1.124  0.00  0.00    +0.085 C 
ATOM     20  N   LIG    1        0.909  -0.084   0.988  0.00  0.00    -0.287 NA
ATOM     21  C   LIG    1        0.193  -0.009   2.263  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        1.035   0.741   3.336  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1        0.350   0.647   4.701  0.00  0.00    +0.025 C 
ATOM     24  N   LIG    1        2.444   0.312   3.440  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        2.702   0.129   4.407  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        2.719  -0.860   2.606  0.00  0.00    +0.101 C 
BRANCH  19  27
ATOM     27  C   LIG    1        3.278   0.063   0.267  0.00  0.00    +0.105 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.584   0.073  -1.803  0.00  0.00    +0.082 C 
ATOM     29  N   LIG    1        3.990  -0.783  -0.728  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1        5.026  -1.635  -0.108  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1        6.401  -0.959  -0.046  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        6.926  -0.640  -1.338  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        5.912  -0.514  -2.346  0.00  0.00    +0.178 C 
BRANCH  28  35
ATOM     34  C   LIG    1        3.950   1.206  -4.017  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1        3.537   0.228  -2.926  0.00  0.00    +0.018 C 
ENDBRANCH  28  35
ENDBRANCH  27  29
ENDBRANCH  19  27
ENDBRANCH   1  20
TORSDOF 6