REMARK  Name = BDB034157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.307  -1.191   1.650  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.803  -2.057   2.078  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        2.046  -1.820   1.203  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.367  -0.353   1.046  0.00  0.00    -0.042 C 
ATOM      5  C   LIG    1        1.435   0.569   1.349  0.00  0.00    -0.008 C 
ATOM      6  C   LIG    1        0.053   0.226   1.838  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.706   0.026   0.551  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        4.300  -0.670  -0.508  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        5.572  -0.318  -0.966  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1        6.084  -1.026  -1.986  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        6.288   0.727  -0.383  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1        5.702   1.421   0.683  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.426   1.073   1.145  0.00  0.00    +0.009 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.648   1.139  -0.834  0.00  0.00    +0.247 C 
ATOM     15  N   LIG    1        8.178   0.497  -1.931  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1        7.682  -0.289  -2.337  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.516   0.771  -2.389  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.249   2.020  -0.226  0.00  0.00    -0.270 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.541  -1.534   2.375  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.613   0.892  -0.919  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -5.712   0.191  -1.893  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -5.969   0.140  -3.092  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -4.581  -0.396  -1.386  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -3.984  -0.864  -2.054  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.238  -0.353  -0.031  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -5.063   0.309   0.875  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.806   0.399   2.198  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -3.671  -0.199   2.628  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.774  -0.878   1.803  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.080  -0.959   0.439  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.279   0.946   0.384  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.958   0.541  -1.751  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -7.849   1.546  -1.471  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5