REMARK  Name = BDB055830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.701   0.090  -0.194  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.728  -0.685  -0.828  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -0.574  -0.192  -1.026  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.878   1.106  -0.576  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        0.089   1.888   0.066  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        1.375   1.373   0.251  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.244   3.219   0.522  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.171   3.646   1.830  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1        0.221   3.021   3.108  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -0.572   4.944   1.899  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -0.926   5.390   0.640  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -0.726   4.353  -0.183  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -1.001   4.492  -1.632  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  O   LIG    1        2.994  -0.284   0.052  0.00  0.00    -0.490 OA
BRANCH  14  15
ATOM     15  C   LIG    1        3.403  -1.566  -0.426  0.00  0.00    +0.257 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.881  -1.758  -0.090  0.00  0.00    +0.200 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.094  -4.096   0.281  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        5.391  -3.001  -0.575  0.00  0.00    -0.380 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  C   LIG    1       -1.654  -1.019  -1.706  0.00  0.00    +0.175 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.815  -1.379  -0.795  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -2.612  -2.158   0.356  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.684  -2.493   1.185  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.970  -2.057   0.872  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.186  -1.288  -0.269  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.116  -0.951  -1.100  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  O   LIG    1       -1.117  -2.219  -2.267  0.00  0.00    -0.383 OA
ATOM     27  H   LIG    1       -1.837  -2.873  -2.277  0.00  0.00    +0.211 HD
ENDBRANCH  19  26
ENDBRANCH   3  19
TORSDOF 8