REMARK  Name = BDB060069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.909  -0.603  -0.171  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.659  -0.296  -0.722  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.651   0.092   0.170  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.853   0.152   1.546  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.286   0.551   2.193  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.198   0.724   1.252  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -2.107  -0.183   2.079  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.661   0.474   0.006  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.353   0.581  -1.257  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -3.132  -0.570   1.208  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.890  -1.014  -1.047  0.00  0.00    -0.454 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -8.736  -1.143  -1.622  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -7.474  -0.400  -1.318  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -6.237  -1.050  -1.295  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -5.078  -0.324  -1.031  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -5.195   1.047  -0.840  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1       -6.374   1.714  -0.868  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1       -7.482   0.975  -1.108  0.00  0.00    +0.114 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.608   1.161   1.492  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.464   0.223   0.840  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.806   0.483   0.866  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.577  -0.367   0.070  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        6.965  -0.212   0.015  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        7.591   0.809   0.737  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.822   1.654   1.536  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.434   1.489   1.605  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.741  -1.124  -0.852  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        7.379  -1.450  -1.968  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        8.864  -1.579  -0.260  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.933  -1.372   0.692  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7