REMARK  Name = BDB029455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.142   3.350   0.744  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1       -2.500   2.040   0.403  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -1.531   1.043   0.191  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.166   1.418   0.259  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        0.190   2.731   0.624  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.795   3.689   0.869  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.909   0.418  -0.038  0.00  0.00    +0.268 C 
ATOM      8  N   LIG    1        2.105   0.940  -0.505  0.00  0.00    -0.191 N 
ATOM      9  H   LIG    1        2.076   1.812  -1.022  0.00  0.00    +0.183 HD
ATOM     10  O   LIG    1        0.684  -0.780   0.102  0.00  0.00    -0.268 OA
BRANCH   8  11
ATOM     11  O   LIG    1        2.943  -0.035  -1.108  0.00  0.00    -0.279 OA
BRANCH  11  12
ATOM     12  C   LIG    1        3.971  -0.391  -0.181  0.00  0.00    +0.193 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.880  -1.376  -0.844  0.00  0.00    +0.017 C 
ATOM     14  C   LIG    1        6.006  -0.910  -1.731  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1        6.310  -1.528  -0.393  0.00  0.00    +0.006 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  N   LIG    1       -3.973   5.141   1.153  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -3.157   4.338   0.967  0.00  0.00    +0.099 C 
ENDBRANCH   1  17
BRANCH   3  18
ATOM     18  N   LIG    1       -1.917  -0.276  -0.140  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.111  -0.886  -0.343  0.00  0.00    +0.152 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.026  -1.066   0.242  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -3.303  -2.235  -0.489  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1       -2.496  -2.586  -1.503  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1       -4.395  -3.050  -0.202  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -5.243  -2.700   0.842  0.00  0.00    +0.016 A 
ATOM     25  I   LIG    1       -6.878  -3.897   1.295  0.00  0.00    -0.044 I 
ATOM     26  C   LIG    1       -4.995  -1.549   1.591  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -3.893  -0.738   1.289  0.00  0.00    +0.027 A 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 7