REMARK  Name = BDB015880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.644   2.058  -0.080  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.073   0.924  -0.204  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.415   1.018  -0.299  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.062   2.256  -0.297  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.232   3.355  -0.165  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.108   3.290  -0.047  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.140   0.535   0.103  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.747   0.675  -0.006  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.112   1.934   0.033  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.937   3.064   0.186  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.324   2.944   0.295  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.922   1.685   0.254  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.201  -3.311   0.823  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.109  -2.476   0.387  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.143  -3.002  -0.386  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.315  -1.973  -0.591  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.744  -0.786   0.051  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.916  -1.157   0.679  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.496   2.420  -0.440  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.265   3.327   0.262  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.551   3.147  -0.163  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.722   3.863   0.280  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.676   2.183  -1.090  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.426   1.748  -1.266  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.163  -0.172  -0.431  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.927  -0.148   0.242  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.390  -1.408  -0.351  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.309  -2.603  -0.575  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -3.312  -2.947   0.554  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -3.035  -4.439   0.261  0.00  0.00    +0.250 C 
ATOM     31  F   LIG    1       -3.884  -5.024  -0.614  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -2.968  -5.245   1.343  0.00  0.00    -0.206 F 
ATOM     33  C   LIG    1       -1.677  -3.995  -0.330  0.00  0.00    +0.080 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6