REMARK  Name = BDB032527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413  -0.548  -1.111  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -0.385   0.380  -1.675  0.00  0.00    -0.151 NA
ATOM      3  N   LIG    1       -1.695   0.506  -1.262  0.00  0.00    -0.134 NA
ATOM      4  C   LIG    1       -2.214  -0.290  -0.302  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1       -1.395  -1.242   0.296  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -0.069  -1.376  -0.109  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.553  -0.140   0.117  0.00  0.00    -0.305 N 
ATOM      8  C   LIG    1       -4.340  -1.388  -0.058  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1       -5.811  -1.188   0.109  0.00  0.00    +0.151 A 
ATOM     10  N   LIG    1       -6.776  -2.078   0.150  0.00  0.00    -0.132 NA
ATOM     11  N   LIG    1       -7.965  -1.399   0.301  0.00  0.00    -0.125 NA
ATOM     12  C   LIG    1       -7.705  -0.103   0.350  0.00  0.00    +0.238 A 
ATOM     13  N   LIG    1       -6.355   0.062   0.216  0.00  0.00    -0.305 N 
ATOM     14  C   LIG    1       -5.569   1.278   0.218  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1       -4.208   1.055  -0.455  0.00  0.00    +0.128 C 
BRANCH  12  16
ATOM     16  C   LIG    1       -8.652   1.024   0.518  0.00  0.00    +0.452 C 
ATOM     17  F   LIG    1       -9.929   0.637   0.753  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1       -8.675   1.819  -0.585  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1       -8.285   1.828   1.553  0.00  0.00    -0.163 F 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.846  -0.634  -1.581  0.00  0.00    +0.159 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.756  -0.239  -0.504  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1        2.464   0.651  -0.101  0.00  0.00    +0.146 HD
BRANCH  21  26
ATOM     23  C   LIG    1        7.231   0.815   1.159  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        6.419   0.273   0.131  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.013   0.278   0.315  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        4.152  -0.237  -0.709  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        4.734  -0.816  -1.846  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        6.114  -0.828  -2.026  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        4.525   0.794   1.530  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        5.407   1.294   2.469  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        6.945  -0.279  -1.057  0.00  0.00    +0.012 A 
ATOM     32  N   LIG    1        6.739   1.320   2.303  0.00  0.00    -0.240 NA
BRANCH  23  33
ATOM     33  N   LIG    1        8.631   0.854   1.043  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1        8.984  -0.092   0.937  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        8.883   1.395   0.223  0.00  0.00    +0.144 HD
ENDBRANCH  23  33
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6